0 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB1301 [0,0,0,0,0,0|2,0,1]=3 1 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB1301 [0,0,0,0,0,0|2,0,1]=3 2 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 WXVL_AK0018SB1301 [0,0,0,0,0,0|3,0,1]=4 3 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 WXVL_AK0018SB1301 [0,0,0,0,0,0|3,0,1]=4 4 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 WXVL_AK0020SB1301 [0,0,0,0,0,0|3,0,1]=4 5 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 WXVL_AK0020SB1301 [0,0,0,0,0,0|3,0,1]=4 6 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 WXVL_AK0021SB1301 [0,0,0,0,0,0|3,0,1]=4 7 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 WXVL_AK0021SB1301 [0,0,0,0,0,0|3,0,1]=4 8 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,0,0,0,0,0|1,0,0]=1 9 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,0,0,0,0,0|1,0,0]=1 10 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,0,0,0,0,0|2,0,0]=2 11 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,0,0,0,0,0|2,0,0]=2 12 B16R1.608 CC(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0068SA2885 [0,0,0,0,0,0|3,0,0]=3 13 B16R1.608 CC(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0068SA2885 [0,0,0,0,0,0|3,0,0]=3 14 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0068SB0114 [0,0,0,0,0,0|1,0,2]=3 15 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0068SB0114 [0,0,0,0,0,0|1,0,2]=3 16 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 WXVL_AK0068SB0067 [0,0,0,0,0,0|1,0,2]=3 17 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 WXVL_AK0068SB0067 [0,0,0,0,0,0|1,0,2]=3 18 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 WXVL_AK0068SA0316 [0,0,0,0,0,0|2,0,2]=4 19 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 WXVL_AK0068SA0316 [0,0,0,0,0,0|2,0,2]=4 20 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 WXVL_AK0068SA0031 [0,0,0,0,0,0|2,0,2]=4 21 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 WXVL_AK0068SA0031 [0,0,0,0,0,0|2,0,2]=4 22 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 WXVL_AK0068SB0086 [0,0,0,0,0,0|2,0,1]=3 23 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 WXVL_AK0068SB0086 [0,0,0,0,0,0|2,0,1]=3 24 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 WXVL_AK0068SA0051 [0,0,0,0,0,0|3,0,1]=4 25 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 WXVL_AK0068SA0051 [0,0,0,0,0,0|3,0,1]=4 26 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 WXVL_AK0068SB0113 [0,0,0,0,0,0|2,0,1]=3 27 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 WXVL_AK0068SB0113 [0,0,0,0,0,0|2,0,1]=3 28 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 WXVL_AK0068SA0055 [0,0,0,0,0,0|3,0,1]=4 29 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 WXVL_AK0068SA0055 [0,0,0,0,0,0|3,0,1]=4 30 B16R1.608 CN(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB00055 [0,0,0,0,0,0|3,0,1]=4 31 B16R1.608 CN(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB00055 [0,0,0,0,0,0|3,0,1]=4 32 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,0,0,0,0,0|2,0,0]=2 33 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,0,0,0,0,0|2,0,0]=2 34 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,0,0,0,0,0|3,0,0]=3 35 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,0,0,0,0,0|3,0,0]=3 36 B16R1.608 CN(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0058SA2885 [0,0,0,0,0,0|4,0,0]=4 37 B16R1.608 CN(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0058SA2885 [0,0,0,0,0,0|4,0,0]=4 38 B16R1.608 CN(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0058SB0114 [0,0,0,0,0,0|2,0,2]=4 39 B16R1.608 CN(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0058SB0114 [0,0,0,0,0,0|2,0,2]=4 40 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 WXVL_AK0058SB0067 [0,0,0,0,0,0|2,0,2]=4 41 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 WXVL_AK0058SB0067 [0,0,0,0,0,0|2,0,2]=4 42 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 WXVL_AK0058SB0086 [0,0,0,0,0,0|3,0,1]=4 43 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 WXVL_AK0058SB0086 [0,0,0,0,0,0|3,0,1]=4 44 B16R1.608 CN(C)CCNC(=O)CSc1ccccc1 WXVL_AK0058SB0113 [0,0,0,0,0,0|3,0,1]=4 45 B16R1.608 CN(C)CCNC(=O)CSc1ccccc1 WXVL_AK0058SB0113 [0,0,0,0,0,0|3,0,1]=4 46 B16R1.608 NC(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK00443SB0115 [0,0,0,0,0,0|3,0,1]=4 47 B16R1.608 NC(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK00443SB0115 [0,0,0,0,0,0|3,0,1]=4 48 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [1,0,0,0,0,0|1,0,2]=4 49 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [1,0,0,0,0,0|1,0,2]=4 50 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [1,0,0,0,0,0|1,0,2]=4 51 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [1,0,0,0,0,0|1,0,2]=4 52 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [1,0,0,0,0,0|1,0,0]=2 53 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [1,0,0,0,0,0|1,0,0]=2 54 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [1,0,0,0,0,0|2,0,0]=3 55 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [1,0,0,0,0,0|2,0,0]=3 56 B15R1.78 CCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00588SA2885 [1,0,0,0,0,0|3,0,0]=4 57 B15R1.78 CCCCNC(=O)/C=C/c1cnccn1 WXVL_AK00588SA2885 [1,0,0,0,0,0|3,0,0]=4 58 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 WXVL_AK00588SB0114 [1,0,0,0,0,0|1,0,2]=4 59 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 WXVL_AK00588SB0114 [1,0,0,0,0,0|1,0,2]=4 60 B15R1.78 CCCCNC(=O)CCc1ccccc1 WXVL_AK00588SB0067 [1,0,0,0,0,0|1,0,2]=4 61 B15R1.78 CCCCNC(=O)CCc1ccccc1 WXVL_AK00588SB0067 [1,0,0,0,0,0|1,0,2]=4 62 B15R1.78 CCCCNC(=O)COc1ccccc1 WXVL_AK00588SB0086 [1,0,0,0,0,0|2,0,1]=4 63 B15R1.78 CCCCNC(=O)COc1ccccc1 WXVL_AK00588SB0086 [1,0,0,0,0,0|2,0,1]=4 64 B15R1.78 CCCCNC(=O)CSc1ccccc1 WXVL_AK00588SB0113 [1,0,0,0,0,0|2,0,1]=4 65 B15R1.78 CCCCNC(=O)CSc1ccccc1 WXVL_AK00588SB0113 [1,0,0,0,0,0|2,0,1]=4 66 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [1,0,0,0,0,0|2,0,0]=3 67 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [1,0,0,0,0,0|2,0,0]=3 68 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [1,0,0,0,0,0|3,0,0]=4 69 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [1,0,0,0,0,0|3,0,0]=4 70 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [1,0,0,0,0,0|2,0,1]=4 71 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [1,0,0,0,0,0|2,0,1]=4 72 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [1,0,0,0,0,0|2,0,0]=3 73 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [1,0,0,0,0,0|2,0,0]=3 74 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [1,0,0,0,0,0|3,0,0]=4 75 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [1,0,0,0,0,0|3,0,0]=4 76 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 WXVL_AK0068SB0419 [0,1,0,0,0,0|1,0,2]=4 77 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 WXVL_AK0068SB0419 [0,1,0,0,0,0|1,0,2]=4 78 B17R1.675 CC(C)CCNC(=O)CC(O)c1ccccc1 WXVL_AK0068SB2325 [0,1,0,0,0,0|1,0,2]=4 79 B17R1.675 CC(C)CCNC(=O)CC(O)c1ccccc1 WXVL_AK0068SB2325 [0,1,0,0,0,0|1,0,2]=4 80 B17R1.675 CC(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0068YV0027 [0,1,0,0,0,0|2,0,0]=3 81 B17R1.675 CC(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0068YV0027 [0,1,0,0,0,0|2,0,0]=3 82 B17R1.675 CC(C)CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK0068YV0029 [0,1,0,0,0,0|2,0,1]=4 83 B17R1.675 CC(C)CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK0068YV0029 [0,1,0,0,0,0|2,0,1]=4 84 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK0068YV0061 [0,1,0,0,0,0|2,0,1]=4 85 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK0068YV0061 [0,1,0,0,0,0|2,0,1]=4 86 B17R1.675 CN(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0058YV0027 [0,1,0,0,0,0|3,0,0]=4 87 B17R1.675 CN(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0058YV0027 [0,1,0,0,0,0|3,0,0]=4 88 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB1301 [0,1,0,0,0,0|2,0,1]=4 89 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB1301 [0,1,0,0,0,0|2,0,1]=4 90 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB1301 [0,1,0,0,0,0|2,0,1]=4 91 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB1301 [0,1,0,0,0,0|2,0,1]=4 92 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB1301 [0,1,0,0,0,0|2,0,1]=4 93 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB1301 [0,1,0,0,0,0|2,0,1]=4 94 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB1301 [0,1,0,0,0,0|2,0,1]=4 95 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB1301 [0,1,0,0,0,0|2,0,1]=4 96 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB1301 [0,1,0,0,0,0|2,0,1]=4 97 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB1301 [0,1,0,0,0,0|2,0,1]=4 98 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0068SB0418 [0,1,0,0,0,0|1,0,0]=2 99 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0068SB0418 [0,1,0,0,0,0|1,0,0]=2 100 B17R1.1079 CC(C)CCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK0068SB3517 [0,1,0,0,0,0|1,0,2]=4 101 B17R1.1079 CC(C)CCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK0068SB3517 [0,1,0,0,0,0|1,0,2]=4 102 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0068SB1122 [0,1,0,0,0,0|1,0,0]=2 103 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0068SB1122 [0,1,0,0,0,0|1,0,0]=2 104 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0068SB0119 [0,1,0,0,0,0|1,0,0]=2 105 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0068SB0119 [0,1,0,0,0,0|1,0,0]=2 106 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0068SB1186 [0,1,0,0,0,0|1,0,0]=2 107 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0068SB1186 [0,1,0,0,0,0|1,0,0]=2 108 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Br WXVL_AK0068SB1166 [0,1,0,0,0,0|1,0,2]=4 109 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Br WXVL_AK0068SB1166 [0,1,0,0,0,0|1,0,2]=4 110 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F WXVL_AK0068SB1123 [0,1,0,0,0,0|1,0,2]=4 111 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F WXVL_AK0068SB1123 [0,1,0,0,0,0|1,0,2]=4 112 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)O WXVL_AK0068SB2324 [0,1,0,0,0,0|1,0,2]=4 113 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)O WXVL_AK0068SB2324 [0,1,0,0,0,0|1,0,2]=4 114 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F WXVL_AK0068SB0088 [0,1,0,0,0,0|2,0,1]=4 115 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F WXVL_AK0068SB0088 [0,1,0,0,0,0|2,0,1]=4 116 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)O WXVL_AK0068SB3388 [0,1,0,0,0,0|2,0,1]=4 117 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)O WXVL_AK0068SB3388 [0,1,0,0,0,0|2,0,1]=4 118 B17R1.1079 CN(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0058SB0418 [0,1,0,0,0,0|2,0,0]=3 119 B17R1.1079 CN(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0058SB0418 [0,1,0,0,0,0|2,0,0]=3 120 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0058SB1122 [0,1,0,0,0,0|2,0,0]=3 121 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0058SB1122 [0,1,0,0,0,0|2,0,0]=3 122 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0058SB0119 [0,1,0,0,0,0|2,0,0]=3 123 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0058SB0119 [0,1,0,0,0,0|2,0,0]=3 124 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0058SB1186 [0,1,0,0,0,0|2,0,0]=3 125 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0058SB1186 [0,1,0,0,0,0|2,0,0]=3 126 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0060 [0,1,0,0,0,0|1,0,0]=2 127 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0060 [0,1,0,0,0,0|1,0,0]=2 128 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0060 [0,1,0,0,0,0|2,0,0]=3 129 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0060 [0,1,0,0,0,0|2,0,0]=3 130 B17R1.1079 Cc1ccc(cc1)CCC(=O)NCCC(C)C WXVL_AK0068SB0421 [0,1,0,0,0,0|1,0,2]=4 131 B17R1.1079 Cc1ccc(cc1)CCC(=O)NCCC(C)C WXVL_AK0068SB0421 [0,1,0,0,0,0|1,0,2]=4 132 B17R1.1079 Cc1ccc(cc1)CNC(=O)CCCC(C)C WXVL_AK0048SB1301 [0,1,0,0,0,0|2,0,1]=4 133 B17R1.1079 Cc1ccc(cc1)CNC(=O)CCCC(C)C WXVL_AK0048SB1301 [0,1,0,0,0,0|2,0,1]=4 134 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C WXVL_AK0068YV0067 [0,1,0,0,0,0|2,0,1]=4 135 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C WXVL_AK0068YV0067 [0,1,0,0,0,0|2,0,1]=4 136 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C WXVL_AK0068SB0138 [0,1,0,0,0,0|2,0,1]=4 137 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C WXVL_AK0068SB0138 [0,1,0,0,0,0|2,0,1]=4 138 B17R1.1079 Cc1ccc(cc1)SCC(=O)NCCC(C)C WXVL_AK0068SB0830 [0,1,0,0,0,0|2,0,1]=4 139 B17R1.1079 Cc1ccc(cc1)SCC(=O)NCCC(C)C WXVL_AK0068SB0830 [0,1,0,0,0,0|2,0,1]=4 140 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4143SB0115 [0,1,0,0,0,0|1,0,0]=2 141 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4143SB0115 [0,1,0,0,0,0|1,0,0]=2 142 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cccnc1 WXVL_AK4143SA0193 [0,1,0,0,0,0|2,0,0]=3 143 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cccnc1 WXVL_AK4143SA0193 [0,1,0,0,0,0|2,0,0]=3 144 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cnccn1 WXVL_AK4143SA2885 [0,1,0,0,0,0|3,0,0]=4 145 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cnccn1 WXVL_AK4143SA2885 [0,1,0,0,0,0|3,0,0]=4 146 B17R1.1218 CC(CO)CCNC(=O)C#Cc1ccccc1 WXVL_AK4143SB0114 [0,1,0,0,0,0|1,0,2]=4 147 B17R1.1218 CC(CO)CCNC(=O)C#Cc1ccccc1 WXVL_AK4143SB0114 [0,1,0,0,0,0|1,0,2]=4 148 B17R1.1218 CC(CO)CCNC(=O)CCc1ccccc1 WXVL_AK4143SB0067 [0,1,0,0,0,0|1,0,2]=4 149 B17R1.1218 CC(CO)CCNC(=O)CCc1ccccc1 WXVL_AK4143SB0067 [0,1,0,0,0,0|1,0,2]=4 150 B17R1.1218 CC(CO)CCNC(=O)COc1ccccc1 WXVL_AK4143SB0086 [0,1,0,0,0,0|2,0,1]=4 151 B17R1.1218 CC(CO)CCNC(=O)COc1ccccc1 WXVL_AK4143SB0086 [0,1,0,0,0,0|2,0,1]=4 152 B17R1.1218 CC(CO)CCNC(=O)CSc1ccccc1 WXVL_AK4143SB0113 [0,1,0,0,0,0|2,0,1]=4 153 B17R1.1218 CC(CO)CCNC(=O)CSc1ccccc1 WXVL_AK4143SB0113 [0,1,0,0,0,0|2,0,1]=4 154 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0052SB0115 [0,1,0,0,0,0|2,0,0]=3 155 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0052SB0115 [0,1,0,0,0,0|2,0,0]=3 156 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0052SA0193 [0,1,0,0,0,0|3,0,0]=4 157 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0052SA0193 [0,1,0,0,0,0|3,0,0]=4 158 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br WXVL_AK1632SB1301 [0,1,0,0,0,0|2,0,1]=4 159 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br WXVL_AK1632SB1301 [0,1,0,0,0,0|2,0,1]=4 160 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Cl WXVL_AK0038SB1301 [0,1,0,0,0,0|2,0,1]=4 161 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Cl WXVL_AK0038SB1301 [0,1,0,0,0,0|2,0,1]=4 162 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1F WXVL_AK0037SB1301 [0,1,0,0,0,0|2,0,1]=4 163 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1F WXVL_AK0037SB1301 [0,1,0,0,0,0|2,0,1]=4 164 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1I WXVL_AK3923SB1301 [0,1,0,0,0,0|2,0,1]=4 165 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1I WXVL_AK3923SB1301 [0,1,0,0,0,0|2,0,1]=4 166 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1O WXVL_AK0963SB1301 [0,1,0,0,0,0|2,0,1]=4 167 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1O WXVL_AK0963SB1301 [0,1,0,0,0,0|2,0,1]=4 168 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0068SB3065 [0,1,0,0,0,0|1,0,0]=2 169 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0068SB3065 [0,1,0,0,0,0|1,0,0]=2 170 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Br WXVL_AK0068SB1278 [0,1,0,0,0,0|1,0,2]=4 171 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Br WXVL_AK0068SB1278 [0,1,0,0,0,0|1,0,2]=4 172 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Cl WXVL_AK0068SB0140 [0,1,0,0,0,0|1,0,2]=4 173 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Cl WXVL_AK0068SB0140 [0,1,0,0,0,0|1,0,2]=4 174 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F WXVL_AK0068SB0008 [0,1,0,0,0,0|1,0,2]=4 175 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F WXVL_AK0068SB0008 [0,1,0,0,0,0|1,0,2]=4 176 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1F WXVL_AK0068SB0441 [0,1,0,0,0,0|2,0,1]=4 177 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1F WXVL_AK0068SB0441 [0,1,0,0,0,0|2,0,1]=4 178 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0058SB3065 [0,1,0,0,0,0|2,0,0]=3 179 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0058SB3065 [0,1,0,0,0,0|2,0,0]=3 180 B17R1.9015 Cc1ccccc1CCC(=O)NCCC(C)C WXVL_AK0068SB0422 [0,1,0,0,0,0|1,0,2]=4 181 B17R1.9015 Cc1ccccc1CCC(=O)NCCC(C)C WXVL_AK0068SB0422 [0,1,0,0,0,0|1,0,2]=4 182 B17R1.9015 Cc1ccccc1CNC(=O)CCCC(C)C WXVL_AK0040SB1301 [0,1,0,0,0,0|2,0,1]=4 183 B17R1.9015 Cc1ccccc1CNC(=O)CCCC(C)C WXVL_AK0040SB1301 [0,1,0,0,0,0|2,0,1]=4 184 B17R1.9015 Cc1ccccc1OCC(=O)NCCC(C)C WXVL_AK0068SB0136 [0,1,0,0,0,0|2,0,1]=4 185 B17R1.9015 Cc1ccccc1OCC(=O)NCCC(C)C WXVL_AK0068SB0136 [0,1,0,0,0,0|2,0,1]=4 186 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCC(C)C WXVL_AK0068SA1933 [0,1,0,0,0,0|2,0,0]=3 187 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCC(C)C WXVL_AK0068SA1933 [0,1,0,0,0,0|2,0,0]=3 188 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCN(C)C WXVL_AK0058SA1933 [0,1,0,0,0,0|3,0,0]=4 189 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCN(C)C WXVL_AK0058SA1933 [0,1,0,0,0,0|3,0,0]=4 190 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C WXVL_AK0068SB0413 [0,1,0,0,0,0|1,0,1]=3 191 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C WXVL_AK0068SB0413 [0,1,0,0,0,0|1,0,1]=3 192 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCN(C)C WXVL_AK0058SB0413 [0,1,0,0,0,0|2,0,1]=4 193 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCN(C)C WXVL_AK0058SB0413 [0,1,0,0,0,0|2,0,1]=4 194 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB1301 [0,1,0,0,0,0|2,0,1]=4 195 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB1301 [0,1,0,0,0,0|2,0,1]=4 196 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 WXVL_AK0068SB3205 [0,1,0,0,0,0|1,0,2]=4 197 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 WXVL_AK0068SB3205 [0,1,0,0,0,0|1,0,2]=4 198 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 WXVL_AK0068SB0426 [0,1,0,0,0,0|2,0,1]=4 199 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 WXVL_AK0068SB0426 [0,1,0,0,0,0|2,0,1]=4 200 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 WXVL_AK0068SB9992 [0,1,0,0,0,0|2,0,1]=4 201 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 WXVL_AK0068SB9992 [0,1,0,0,0,0|2,0,1]=4 202 B17R1.9289 CC(C)CCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK0068SB5803 [0,1,0,0,0,0|2,0,1]=4 203 B17R1.9289 CC(C)CCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK0068SB5803 [0,1,0,0,0,0|2,0,1]=4 204 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB1301 [0,1,0,0,0,0|2,0,1]=4 205 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB1301 [0,1,0,0,0,0|2,0,1]=4 206 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB1301 [0,1,0,0,0,0|2,0,1]=4 207 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB1301 [0,1,0,0,0,0|2,0,1]=4 208 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)F WXVL_AK0041SB1301 [0,1,0,0,0,0|2,0,1]=4 209 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)F WXVL_AK0041SB1301 [0,1,0,0,0,0|2,0,1]=4 210 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)I WXVL_AK1572SB1301 [0,1,0,0,0,0|2,0,1]=4 211 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)I WXVL_AK1572SB1301 [0,1,0,0,0,0|2,0,1]=4 212 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)O WXVL_AK0974SB1301 [0,1,0,0,0,0|2,0,1]=4 213 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)O WXVL_AK0974SB1301 [0,1,0,0,0,0|2,0,1]=4 214 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0068SB1601 [0,1,0,0,0,0|1,0,0]=2 215 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0068SB1601 [0,1,0,0,0,0|1,0,0]=2 216 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0068SB0417 [0,1,0,0,0,0|1,0,0]=2 217 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0068SB0417 [0,1,0,0,0,0|1,0,0]=2 218 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Br WXVL_AK0068SB0278 [0,1,0,0,0,0|1,0,2]=4 219 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Br WXVL_AK0068SB0278 [0,1,0,0,0,0|1,0,2]=4 220 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)O WXVL_AK0068SB3088 [0,1,0,0,0,0|1,0,2]=4 221 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)O WXVL_AK0068SB3088 [0,1,0,0,0,0|1,0,2]=4 222 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Cl WXVL_AK0068SB0493 [0,1,0,0,0,0|2,0,1]=4 223 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Cl WXVL_AK0068SB0493 [0,1,0,0,0,0|2,0,1]=4 224 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F WXVL_AK0068YV0073 [0,1,0,0,0,0|2,0,1]=4 225 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F WXVL_AK0068YV0073 [0,1,0,0,0,0|2,0,1]=4 226 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0058SB1601 [0,1,0,0,0,0|2,0,0]=3 227 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0058SB1601 [0,1,0,0,0,0|2,0,0]=3 228 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0058SB0417 [0,1,0,0,0,0|2,0,0]=3 229 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0058SB0417 [0,1,0,0,0,0|2,0,0]=3 230 B17R1.14359 Cc1cccc(c1)CCC(=O)NCCC(C)C WXVL_AK0068SB1394 [0,1,0,0,0,0|1,0,2]=4 231 B17R1.14359 Cc1cccc(c1)CCC(=O)NCCC(C)C WXVL_AK0068SB1394 [0,1,0,0,0,0|1,0,2]=4 232 B17R1.14359 Cc1cccc(c1)CNC(=O)CCCC(C)C WXVL_AK0045SB1301 [0,1,0,0,0,0|2,0,1]=4 233 B17R1.14359 Cc1cccc(c1)CNC(=O)CCCC(C)C WXVL_AK0045SB1301 [0,1,0,0,0,0|2,0,1]=4 234 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C WXVL_AK0068YV0178 [0,1,0,0,0,0|2,0,1]=4 235 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C WXVL_AK0068YV0178 [0,1,0,0,0,0|2,0,1]=4 236 B17R1.16221 CC(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0068HU0026 [0,1,0,0,0,0|2,0,0]=3 237 B17R1.16221 CC(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0068HU0026 [0,1,0,0,0,0|2,0,0]=3 238 B17R1.16221 CN(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0058HU0026 [0,1,0,0,0,0|3,0,0]=4 239 B17R1.16221 CN(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0058HU0026 [0,1,0,0,0,0|3,0,0]=4 240 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1ccccc1 WXVL_AK0938SB0115 [0,1,0,0,0,0|2,0,0]=3 241 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1ccccc1 WXVL_AK0938SB0115 [0,1,0,0,0,0|2,0,0]=3 242 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1cccnc1 WXVL_AK0938SA0193 [0,1,0,0,0,0|3,0,0]=4 243 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1cccnc1 WXVL_AK0938SA0193 [0,1,0,0,0,0|3,0,0]=4 244 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK00415SB0115 [0,1,0,0,0,0|2,0,1]=4 245 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK00415SB0115 [0,1,0,0,0,0|2,0,1]=4 246 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK1558SB0115 [0,1,0,0,0,0|1,0,0]=2 247 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK1558SB0115 [0,1,0,0,0,0|1,0,0]=2 248 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cccnc1 WXVL_AK1558SA0193 [0,1,0,0,0,0|2,0,0]=3 249 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cccnc1 WXVL_AK1558SA0193 [0,1,0,0,0,0|2,0,0]=3 250 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cnccn1 WXVL_AK1558SA2885 [0,1,0,0,0,0|3,0,0]=4 251 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cnccn1 WXVL_AK1558SA2885 [0,1,0,0,0,0|3,0,0]=4 252 B17R1.40529 CC(C)(O)CCNC(=O)C#Cc1ccccc1 WXVL_AK1558SB0114 [0,1,0,0,0,0|1,0,2]=4 253 B17R1.40529 CC(C)(O)CCNC(=O)C#Cc1ccccc1 WXVL_AK1558SB0114 [0,1,0,0,0,0|1,0,2]=4 254 B17R1.40529 CC(C)(O)CCNC(=O)CCc1ccccc1 WXVL_AK1558SB0067 [0,1,0,0,0,0|1,0,2]=4 255 B17R1.40529 CC(C)(O)CCNC(=O)CCc1ccccc1 WXVL_AK1558SB0067 [0,1,0,0,0,0|1,0,2]=4 256 B17R1.40529 CC(C)(O)CCNC(=O)COc1ccccc1 WXVL_AK1558SB0086 [0,1,0,0,0,0|2,0,1]=4 257 B17R1.40529 CC(C)(O)CCNC(=O)COc1ccccc1 WXVL_AK1558SB0086 [0,1,0,0,0,0|2,0,1]=4 258 B17R1.40529 CC(C)(O)CCNC(=O)CSc1ccccc1 WXVL_AK1558SB0113 [0,1,0,0,0,0|2,0,1]=4 259 B17R1.40529 CC(C)(O)CCNC(=O)CSc1ccccc1 WXVL_AK1558SB0113 [0,1,0,0,0,0|2,0,1]=4 260 B17R1.40529 CS(=O)(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0333SB0115 [0,1,0,0,0,0|3,0,0]=4 261 B17R1.40529 CS(=O)(=O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0333SB0115 [0,1,0,0,0,0|3,0,0]=4 262 B17R1.40529 O=C(/C=C/c1ccccc1)NCCC(F)(F)F WXVL_AK0145SB0115 [0,1,0,0,0,0|3,0,0]=4 263 B17R1.40529 O=C(/C=C/c1ccccc1)NCCC(F)(F)F WXVL_AK0145SB0115 [0,1,0,0,0,0|3,0,0]=4 264 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0556SB0115 [0,0,0,1,0,0|1,0,0]=2 265 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0556SB0115 [0,0,0,1,0,0|1,0,0]=2 266 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0556SA0193 [0,0,0,1,0,0|2,0,0]=3 267 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0556SA0193 [0,0,0,1,0,0|2,0,0]=3 268 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN0556SA2885 [0,0,0,1,0,0|3,0,0]=4 269 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN0556SA2885 [0,0,0,1,0,0|3,0,0]=4 270 B17R2.3231 CC1CCN(C1)C(=O)C#Cc2ccccc2 WXVL_AN0556SB0114 [0,0,0,1,0,0|1,0,2]=4 271 B17R2.3231 CC1CCN(C1)C(=O)C#Cc2ccccc2 WXVL_AN0556SB0114 [0,0,0,1,0,0|1,0,2]=4 272 B17R2.3231 CC1CCN(C1)C(=O)CCc2ccccc2 WXVL_AN0556SB0067 [0,0,0,1,0,0|1,0,2]=4 273 B17R2.3231 CC1CCN(C1)C(=O)CCc2ccccc2 WXVL_AN0556SB0067 [0,0,0,1,0,0|1,0,2]=4 274 B17R2.3231 CC1CCN(C1)C(=O)COc2ccccc2 WXVL_AN0556SB0086 [0,0,0,1,0,0|2,0,1]=4 275 B17R2.3231 CC1CCN(C1)C(=O)COc2ccccc2 WXVL_AN0556SB0086 [0,0,0,1,0,0|2,0,1]=4 276 B17R2.3231 CC1CCN(C1)C(=O)CSc2ccccc2 WXVL_AN0556SB0113 [0,0,0,1,0,0|2,0,1]=4 277 B17R2.3231 CC1CCN(C1)C(=O)CSc2ccccc2 WXVL_AN0556SB0113 [0,0,0,1,0,0|2,0,1]=4 278 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00488SB0115 [0,0,0,1,0,0|1,0,0]=2 279 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00488SB0115 [0,0,0,1,0,0|1,0,0]=2 280 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00488SA0193 [0,0,0,1,0,0|2,0,0]=3 281 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00488SA0193 [0,0,0,1,0,0|2,0,0]=3 282 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN00488SA2885 [0,0,0,1,0,0|3,0,0]=4 283 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN00488SA2885 [0,0,0,1,0,0|3,0,0]=4 284 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C#Cc2ccccc2 WXVL_AN00488SB0114 [0,0,0,1,0,0|1,0,2]=4 285 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C#Cc2ccccc2 WXVL_AN00488SB0114 [0,0,0,1,0,0|1,0,2]=4 286 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CCc2ccccc2 WXVL_AN00488SB0067 [0,0,0,1,0,0|1,0,2]=4 287 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CCc2ccccc2 WXVL_AN00488SB0067 [0,0,0,1,0,0|1,0,2]=4 288 B17R2.3231 C[C@@H]1CCN(C1)C(=O)COc2ccccc2 WXVL_AN00488SB0086 [0,0,0,1,0,0|2,0,1]=4 289 B17R2.3231 C[C@@H]1CCN(C1)C(=O)COc2ccccc2 WXVL_AN00488SB0086 [0,0,0,1,0,0|2,0,1]=4 290 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CSc2ccccc2 WXVL_AN00488SB0113 [0,0,0,1,0,0|2,0,1]=4 291 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CSc2ccccc2 WXVL_AN00488SB0113 [0,0,0,1,0,0|2,0,1]=4 292 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00094SB0115 [0,0,0,1,0,0|1,0,0]=2 293 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00094SB0115 [0,0,0,1,0,0|1,0,0]=2 294 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00094SA0193 [0,0,0,1,0,0|2,0,0]=3 295 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00094SA0193 [0,0,0,1,0,0|2,0,0]=3 296 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN00094SA2885 [0,0,0,1,0,0|3,0,0]=4 297 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN00094SA2885 [0,0,0,1,0,0|3,0,0]=4 298 B17R2.3231 C[C@H]1CCN(C1)C(=O)C#Cc2ccccc2 WXVL_AN00094SB0114 [0,0,0,1,0,0|1,0,2]=4 299 B17R2.3231 C[C@H]1CCN(C1)C(=O)C#Cc2ccccc2 WXVL_AN00094SB0114 [0,0,0,1,0,0|1,0,2]=4 300 B17R2.3231 C[C@H]1CCN(C1)C(=O)CCc2ccccc2 WXVL_AN00094SB0067 [0,0,0,1,0,0|1,0,2]=4 301 B17R2.3231 C[C@H]1CCN(C1)C(=O)CCc2ccccc2 WXVL_AN00094SB0067 [0,0,0,1,0,0|1,0,2]=4 302 B17R2.3231 C[C@H]1CCN(C1)C(=O)COc2ccccc2 WXVL_AN00094SB0086 [0,0,0,1,0,0|2,0,1]=4 303 B17R2.3231 C[C@H]1CCN(C1)C(=O)COc2ccccc2 WXVL_AN00094SB0086 [0,0,0,1,0,0|2,0,1]=4 304 B17R2.3231 C[C@H]1CCN(C1)C(=O)CSc2ccccc2 WXVL_AN00094SB0113 [0,0,0,1,0,0|2,0,1]=4 305 B17R2.3231 C[C@H]1CCN(C1)C(=O)CSc2ccccc2 WXVL_AN00094SB0113 [0,0,0,1,0,0|2,0,1]=4 306 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)Br WXVL_AN00715SB0115 [0,0,0,1,0,0|2,0,0]=3 307 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)F WXVL_AN00338SB0115 [0,0,0,1,0,0|2,0,0]=3 308 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)F WXVL_AN00338SB0115 [0,0,0,1,0,0|2,0,0]=3 309 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)O WXVL_AN0158SB0115 [0,0,0,1,0,0|2,0,0]=3 310 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)O WXVL_AN0158SB0115 [0,0,0,1,0,0|2,0,0]=3 311 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)O WXVL_AN00391SB0115 [0,0,0,1,0,0|2,0,0]=3 312 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)O WXVL_AN00391SB0115 [0,0,0,1,0,0|2,0,0]=3 313 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)F WXVL_AN00035SB0115 [0,0,0,1,0,0|2,0,0]=3 314 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)F WXVL_AN00035SB0115 [0,0,0,1,0,0|2,0,0]=3 315 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)O WXVL_AN00543SB0115 [0,0,0,1,0,0|2,0,0]=3 316 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)Br WXVL_AN00715SA0193 [0,0,0,1,0,0|3,0,0]=4 317 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)F WXVL_AN00338SA0193 [0,0,0,1,0,0|3,0,0]=4 318 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)F WXVL_AN00338SA0193 [0,0,0,1,0,0|3,0,0]=4 319 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)O WXVL_AN0158SA0193 [0,0,0,1,0,0|3,0,0]=4 320 B17R2.3231 O=C(/C=C/c1cccnc1)N2CCC(C2)O WXVL_AN0158SA0193 [0,0,0,1,0,0|3,0,0]=4 321 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@@H](C2)O WXVL_AN00391SA0193 [0,0,0,1,0,0|3,0,0]=4 322 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@@H](C2)O WXVL_AN00391SA0193 [0,0,0,1,0,0|3,0,0]=4 323 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@H](C2)F WXVL_AN00035SA0193 [0,0,0,1,0,0|3,0,0]=4 324 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@H](C2)F WXVL_AN00035SA0193 [0,0,0,1,0,0|3,0,0]=4 325 B17R2.3231 O=C(/C=C/c1cccnc1)N2CC[C@H](C2)O WXVL_AN00543SA0193 [0,0,0,1,0,0|3,0,0]=4 326 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK0309SB0115 [0,0,0,1,0,0|1,0,0]=2 327 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK0309SB0115 [0,0,0,1,0,0|1,0,0]=2 328 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK0309SA0193 [0,0,0,1,0,0|2,0,0]=3 329 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK0309SA0193 [0,0,0,1,0,0|2,0,0]=3 330 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cnccn2 WXVL_AK0309SA2885 [0,0,0,1,0,0|3,0,0]=4 331 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cnccn2 WXVL_AK0309SA2885 [0,0,0,1,0,0|3,0,0]=4 332 B17R2.5233 CC1CC(C1)NC(=O)C#Cc2ccccc2 WXVL_AK0309SB0114 [0,0,0,1,0,0|1,0,2]=4 333 B17R2.5233 CC1CC(C1)NC(=O)C#Cc2ccccc2 WXVL_AK0309SB0114 [0,0,0,1,0,0|1,0,2]=4 334 B17R2.5233 CC1CC(C1)NC(=O)CCc2ccccc2 WXVL_AK0309SB0067 [0,0,0,1,0,0|1,0,2]=4 335 B17R2.5233 CC1CC(C1)NC(=O)CCc2ccccc2 WXVL_AK0309SB0067 [0,0,0,1,0,0|1,0,2]=4 336 B17R2.5233 CC1CC(C1)NC(=O)COc2ccccc2 WXVL_AK0309SB0086 [0,0,0,1,0,0|2,0,1]=4 337 B17R2.5233 CC1CC(C1)NC(=O)COc2ccccc2 WXVL_AK0309SB0086 [0,0,0,1,0,0|2,0,1]=4 338 B17R2.5233 CC1CC(C1)NC(=O)CSc2ccccc2 WXVL_AK0309SB0113 [0,0,0,1,0,0|2,0,1]=4 339 B17R2.5233 CC1CC(C1)NC(=O)CSc2ccccc2 WXVL_AK0309SB0113 [0,0,0,1,0,0|2,0,1]=4 340 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK1377SB0115 [0,0,0,1,0,0|2,0,0]=3 341 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK1377SB0115 [0,0,0,1,0,0|2,0,0]=3 342 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK1377SA0193 [0,0,0,1,0,0|3,0,0]=4 343 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK1377SA0193 [0,0,0,1,0,0|3,0,0]=4 344 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)F WXVL_AK0307SB0115 [0,0,0,1,0,0|2,0,0]=3 345 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)F WXVL_AK0307SB0115 [0,0,0,1,0,0|2,0,0]=3 346 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)O WXVL_AK0306SB0115 [0,0,0,1,0,0|2,0,0]=3 347 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)O WXVL_AK0306SB0115 [0,0,0,1,0,0|2,0,0]=3 348 B17R2.5233 O=C(/C=C/c1ccccc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0115 [0,0,0,1,0,0|2,0,0]=3 349 B17R2.5233 O=C(/C=C/c1ccccc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0115 [0,0,0,1,0,0|2,0,0]=3 350 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)F WXVL_AK0307SA0193 [0,0,0,1,0,0|3,0,0]=4 351 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)F WXVL_AK0307SA0193 [0,0,0,1,0,0|3,0,0]=4 352 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)O WXVL_AK0306SA0193 [0,0,0,1,0,0|3,0,0]=4 353 B17R2.5233 O=C(/C=C/c1cccnc1)NC2CC(C2)O WXVL_AK0306SA0193 [0,0,0,1,0,0|3,0,0]=4 354 B17R2.5233 O=C(/C=C/c1cccnc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SA0193 [0,0,0,1,0,0|3,0,0]=4 355 B17R2.5233 O=C(/C=C/c1cccnc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SA0193 [0,0,0,1,0,0|3,0,0]=4 356 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 WXVL_AK0068LP0064 [0,0,0,1,0,0|3,0,0]=4 357 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 WXVL_AK0068LP0064 [0,0,0,1,0,0|3,0,0]=4 358 B17R2.45566 O=C(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594SB0115 [0,0,0,1,0,0|1,0,0]=2 359 B17R2.45566 O=C(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594SB0115 [0,0,0,1,0,0|1,0,0]=2 360 B17R2.45566 O=C(/C=C/c1cccnc1)NCCC2CC2 WXVL_AK00594SA0193 [0,0,0,1,0,0|2,0,0]=3 361 B17R2.45566 O=C(/C=C/c1cccnc1)NCCC2CC2 WXVL_AK00594SA0193 [0,0,0,1,0,0|2,0,0]=3 362 B17R2.45566 O=C(/C=C/c1cnccn1)NCCC2CC2 WXVL_AK00594SA2885 [0,0,0,1,0,0|3,0,0]=4 363 B17R2.45566 O=C(/C=C/c1cnccn1)NCCC2CC2 WXVL_AK00594SA2885 [0,0,0,1,0,0|3,0,0]=4 364 B17R2.45566 O=C(C#Cc1ccccc1)NCCC2CC2 WXVL_AK00594SB0114 [0,0,0,1,0,0|1,0,2]=4 365 B17R2.45566 O=C(C#Cc1ccccc1)NCCC2CC2 WXVL_AK00594SB0114 [0,0,0,1,0,0|1,0,2]=4 366 B17R2.45566 O=C(CCc1ccccc1)NCCC2CC2 WXVL_AK00594SB0067 [0,0,0,1,0,0|1,0,2]=4 367 B17R2.45566 O=C(CCc1ccccc1)NCCC2CC2 WXVL_AK00594SB0067 [0,0,0,1,0,0|1,0,2]=4 368 B17R2.45566 O=C(COc1ccccc1)NCCC2CC2 WXVL_AK00594SB0086 [0,0,0,1,0,0|2,0,1]=4 369 B17R2.45566 O=C(COc1ccccc1)NCCC2CC2 WXVL_AK00594SB0086 [0,0,0,1,0,0|2,0,1]=4 370 B17R2.45566 O=C(CSc1ccccc1)NCCC2CC2 WXVL_AK00594SB0113 [0,0,0,1,0,0|2,0,1]=4 371 B17R2.45566 O=C(CSc1ccccc1)NCCC2CC2 WXVL_AK00594SB0113 [0,0,0,1,0,0|2,0,1]=4 372 B17R2.76756 O=C(/C=C/c1ccccc1)NC2CC2(F)F WXVL_AK0397SB0115 [0,0,0,1,0,0|3,0,0]=4 373 B17R2.76756 O=C(/C=C/c1ccccc1)NC2CC2(F)F WXVL_AK0397SB0115 [0,0,0,1,0,0|3,0,0]=4 374 B15R1.503 CC(C)CCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK0068SA0730 [0,0,0,0,1,0|3,0,0]=4 375 B15R1.503 CC(C)CCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK0068SA0730 [0,0,0,0,1,0|3,0,0]=4 376 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0068SA0180 [0,0,0,0,1,0|2,0,0]=3 377 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0068SA0180 [0,0,0,0,1,0|2,0,0]=3 378 B15R1.503 CC(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0068SA0001 [0,0,0,0,1,0|2,0,0]=3 379 B15R1.503 CC(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0068SA0001 [0,0,0,0,1,0|2,0,0]=3 380 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0068SA0047 [0,0,0,0,1,0|2,0,0]=3 381 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0068SA0047 [0,0,0,0,1,0|2,0,0]=3 382 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0068SA0251 [0,0,0,0,1,0|2,0,0]=3 383 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0068SA0251 [0,0,0,0,1,0|2,0,0]=3 384 B15R1.503 CN(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0058SA0180 [0,0,0,0,1,0|3,0,0]=4 385 B15R1.503 CN(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0058SA0180 [0,0,0,0,1,0|3,0,0]=4 386 B15R1.503 CN(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0058SA0001 [0,0,0,0,1,0|3,0,0]=4 387 B15R1.503 CN(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0058SA0001 [0,0,0,0,1,0|3,0,0]=4 388 B15R1.503 CN(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0058SA0047 [0,0,0,0,1,0|3,0,0]=4 389 B15R1.503 CN(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0058SA0047 [0,0,0,0,1,0|3,0,0]=4 390 B15R1.503 CN(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0058SA0251 [0,0,0,0,1,0|3,0,0]=4 391 B15R1.503 CN(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0058SA0251 [0,0,0,0,1,0|3,0,0]=4 392 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1301 [0,0,0,0,1,0|2,0,0]=3 393 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1301 [0,0,0,0,1,0|2,0,0]=3 394 B15R1.1081 CC(C)CCCC(=O)Nc1ccccn1 WXVL_AF00298SB1301 [0,0,0,0,1,0|3,0,0]=4 395 B15R1.1081 CC(C)CCCC(=O)Nc1ccccn1 WXVL_AF00298SB1301 [0,0,0,0,1,0|3,0,0]=4 396 B15R1.1081 CC(C)CCNC(=O)Cc1ccccc1 WXVL_AK0068SB0092 [0,0,0,0,1,0|1,0,1]=3 397 B15R1.1081 CC(C)CCNC(=O)Cc1ccccc1 WXVL_AK0068SB0092 [0,0,0,0,1,0|1,0,1]=3 398 B15R1.1081 CC(C)CCNC(=O)Cc1ccccn1 WXVL_AK0068SA0032 [0,0,0,0,1,0|2,0,1]=4 399 B15R1.1081 CC(C)CCNC(=O)Cc1ccccn1 WXVL_AK0068SA0032 [0,0,0,0,1,0|2,0,1]=4 400 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 WXVL_AK0068SA0029 [0,0,0,0,1,0|2,0,1]=4 401 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 WXVL_AK0068SA0029 [0,0,0,0,1,0|2,0,1]=4 402 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 WXVL_AK0068SB00049 [0,0,0,0,1,0|2,0,1]=4 403 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 WXVL_AK0068SB00049 [0,0,0,0,1,0|2,0,1]=4 404 B15R1.1081 CC(C)CCNC(=O)Cc1ccncc1 WXVL_AK0068SA00106 [0,0,0,0,1,0|2,0,1]=4 405 B15R1.1081 CC(C)CCNC(=O)Cc1ccncc1 WXVL_AK0068SA00106 [0,0,0,0,1,0|2,0,1]=4 406 B15R1.1081 CC(C)CCNC(=O)Nc1ccccn1 WXVL_AK0068YV0189 [0,0,0,0,1,0|3,0,0]=4 407 B15R1.1081 CC(C)CCNC(=O)Nc1ccccn1 WXVL_AK0068YV0189 [0,0,0,0,1,0|3,0,0]=4 408 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 WXVL_AG00183SB00055 [0,0,0,0,1,0|3,0,0]=4 409 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 WXVL_AG00183SB00055 [0,0,0,0,1,0|3,0,0]=4 410 B15R1.1081 CN(C)CCNC(=O)Cc1ccccc1 WXVL_AK0058SB0092 [0,0,0,0,1,0|2,0,1]=4 411 B15R1.1081 CN(C)CCNC(=O)Cc1ccccc1 WXVL_AK0058SB0092 [0,0,0,0,1,0|2,0,1]=4 412 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,0,0,0,1,0|1,0,2]=4 413 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,0,0,0,1,0|1,0,2]=4 414 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [0,0,0,0,1,0|1,0,1]=3 415 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [0,0,0,0,1,0|1,0,1]=3 416 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 WXVL_AK0018SB0354 [0,0,0,0,1,0|2,0,1]=4 417 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 WXVL_AK0018SB0354 [0,0,0,0,1,0|2,0,1]=4 418 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 WXVL_AK0020SB0354 [0,0,0,0,1,0|2,0,1]=4 419 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 WXVL_AK0020SB0354 [0,0,0,0,1,0|2,0,1]=4 420 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 WXVL_AK0021SB0354 [0,0,0,0,1,0|2,0,1]=4 421 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 WXVL_AK0021SB0354 [0,0,0,0,1,0|2,0,1]=4 422 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,0,0,0,1,0|1,0,0]=2 423 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,0,0,0,1,0|1,0,0]=2 424 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,0,0,0,1,0|2,0,0]=3 425 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,0,0,0,1,0|2,0,0]=3 426 B15R1.5919 CC(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00544SA2885 [0,0,0,0,1,0|3,0,0]=4 427 B15R1.5919 CC(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00544SA2885 [0,0,0,0,1,0|3,0,0]=4 428 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00544SB0114 [0,0,0,0,1,0|1,0,2]=4 429 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00544SB0114 [0,0,0,0,1,0|1,0,2]=4 430 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 WXVL_AK00544SB0067 [0,0,0,0,1,0|1,0,2]=4 431 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 WXVL_AK00544SB0067 [0,0,0,0,1,0|1,0,2]=4 432 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 WXVL_AK00544SB0086 [0,0,0,0,1,0|2,0,1]=4 433 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 WXVL_AK00544SB0086 [0,0,0,0,1,0|2,0,1]=4 434 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 WXVL_AK00544SB0113 [0,0,0,0,1,0|2,0,1]=4 435 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 WXVL_AK00544SB0113 [0,0,0,0,1,0|2,0,1]=4 436 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 WXVL_AK00502SB0213 [0,0,0,0,1,0|2,0,1]=4 437 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 WXVL_AK00502SB0213 [0,0,0,0,1,0|2,0,1]=4 438 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,0,0,0,1,0|2,0,0]=3 439 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,0,0,0,1,0|2,0,0]=3 440 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,0,0,0,1,0|3,0,0]=4 441 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,0,0,0,1,0|3,0,0]=4 442 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB00052 [0,0,0,0,1,0|2,0,1]=4 443 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB00052 [0,0,0,0,1,0|2,0,1]=4 444 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,0,0,0,1,0|2,0,0]=3 445 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,0,0,0,1,0|2,0,0]=3 446 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,0,0,0,1,0|3,0,0]=4 447 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,0,0,0,1,0|3,0,0]=4 448 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,0,0,0,1,0|3,0,0]=4 449 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,0,0,0,1,0|3,0,0]=4 450 B17R1.1324 CC(=O)NCCNC(=O)/C=C/c1ccccc1 WXVL_AK0057SB0115 [0,0,0,0,0,1|2,0,1]=4 451 B17R1.1324 CC(=O)NCCNC(=O)/C=C/c1ccccc1 WXVL_AK0057SB0115 [0,0,0,0,0,1|2,0,1]=4 452 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1ccccc1 WXVL_AK0128SB0115 [0,0,0,0,0,1|1,0,0]=2 453 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1ccccc1 WXVL_AK0128SB0115 [0,0,0,0,0,1|1,0,0]=2 454 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cccnc1 WXVL_AK0128SA0193 [0,0,0,0,0,1|2,0,0]=3 455 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cccnc1 WXVL_AK0128SA0193 [0,0,0,0,0,1|2,0,0]=3 456 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cnccn1 WXVL_AK0128SA2885 [0,0,0,0,0,1|3,0,0]=4 457 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cnccn1 WXVL_AK0128SA2885 [0,0,0,0,0,1|3,0,0]=4 458 B17R1.1324 CC(C)OCCNC(=O)C#Cc1ccccc1 WXVL_AK0128SB0114 [0,0,0,0,0,1|1,0,2]=4 459 B17R1.1324 CC(C)OCCNC(=O)C#Cc1ccccc1 WXVL_AK0128SB0114 [0,0,0,0,0,1|1,0,2]=4 460 B17R1.1324 CC(C)OCCNC(=O)CCc1ccccc1 WXVL_AK0128SB0067 [0,0,0,0,0,1|1,0,2]=4 461 B17R1.1324 CC(C)OCCNC(=O)CCc1ccccc1 WXVL_AK0128SB0067 [0,0,0,0,0,1|1,0,2]=4 462 B17R1.1324 CC(C)OCCNC(=O)COc1ccccc1 WXVL_AK0128SB0086 [0,0,0,0,0,1|2,0,1]=4 463 B17R1.1324 CC(C)OCCNC(=O)COc1ccccc1 WXVL_AK0128SB0086 [0,0,0,0,0,1|2,0,1]=4 464 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 WXVL_AK0128SB0113 [0,0,0,0,0,1|2,0,1]=4 465 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 WXVL_AK0128SB0113 [0,0,0,0,0,1|2,0,1]=4 466 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB1301 [0,0,0,0,0,1|1,0,2]=4 467 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB1301 [0,0,0,0,0,1|1,0,2]=4 468 B17R1.16611 CC(C)CCNC(=O)CCCc1ccccc1 WXVL_AK0068SB0121 [0,0,0,0,0,1|1,0,2]=4 469 B17R1.16611 CC(C)CCNC(=O)CCCc1ccccc1 WXVL_AK0068SB0121 [0,0,0,0,0,1|1,0,2]=4 470 B17R1.16611 CC(C)CCNC(=O)CCOc1ccccc1 WXVL_AK0068SB0066 [0,0,0,0,0,1|1,0,2]=4 471 B17R1.16611 CC(C)CCNC(=O)CCOc1ccccc1 WXVL_AK0068SB0066 [0,0,0,0,0,1|1,0,2]=4 472 B17R1.16611 CC(C)CCNC(=O)COCc1ccccc1 WXVL_AK0068SB0185 [0,0,0,0,0,1|1,0,2]=4 473 B17R1.16611 CC(C)CCNC(=O)COCc1ccccc1 WXVL_AK0068SB0185 [0,0,0,0,0,1|1,0,2]=4 474 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [2,0,0,0,0,0|1,0,0]=3 475 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [2,0,0,0,0,0|1,0,0]=3 476 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [2,0,0,0,0,0|2,0,0]=4 477 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [2,0,0,0,0,0|2,0,0]=4 478 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [2,0,0,0,0,0|2,0,0]=4 479 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [2,0,0,0,0,0|2,0,0]=4 480 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [1,1,0,0,0,0|2,0,0]=4 481 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [1,1,0,0,0,0|2,0,0]=4 482 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [1,1,0,0,0,0|1,0,0]=3 483 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [1,1,0,0,0,0|1,0,0]=3 484 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [1,1,0,0,0,0|1,0,0]=3 485 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [1,1,0,0,0,0|1,0,0]=3 486 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [1,1,0,0,0,0|1,0,0]=3 487 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [1,1,0,0,0,0|1,0,0]=3 488 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [1,1,0,0,0,0|1,0,0]=3 489 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [1,1,0,0,0,0|1,0,0]=3 490 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [1,1,0,0,0,0|1,0,0]=3 491 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [1,1,0,0,0,0|1,0,0]=3 492 B16R1.51 CSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00440SB0418 [1,1,0,0,0,0|2,0,0]=4 493 B16R1.51 CSCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00440SB0418 [1,1,0,0,0,0|2,0,0]=4 494 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00440SB1122 [1,1,0,0,0,0|2,0,0]=4 495 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00440SB1122 [1,1,0,0,0,0|2,0,0]=4 496 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00440SB0060 [1,1,0,0,0,0|2,0,0]=4 497 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00440SB0060 [1,1,0,0,0,0|2,0,0]=4 498 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00440SB0119 [1,1,0,0,0,0|2,0,0]=4 499 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00440SB0119 [1,1,0,0,0,0|2,0,0]=4 500 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00440SB1186 [1,1,0,0,0,0|2,0,0]=4 501 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00440SB1186 [1,1,0,0,0,0|2,0,0]=4 502 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO WXVL_AK0073SB0060 [1,1,0,0,0,0|2,0,0]=4 503 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO WXVL_AK0073SB0060 [1,1,0,0,0,0|2,0,0]=4 504 B16R1.51 O=C(/C=C/c1ccc(cc1)O)NCCCO WXVL_AK0073SB0418 [1,1,0,0,0,0|2,0,0]=4 505 B16R1.51 O=C(/C=C/c1ccc(cc1)O)NCCCO WXVL_AK0073SB0418 [1,1,0,0,0,0|2,0,0]=4 506 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCO WXVL_AK0073SB1122 [1,1,0,0,0,0|2,0,0]=4 507 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCO WXVL_AK0073SB1122 [1,1,0,0,0,0|2,0,0]=4 508 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO WXVL_AK0073SB0119 [1,1,0,0,0,0|2,0,0]=4 509 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO WXVL_AK0073SB0119 [1,1,0,0,0,0|2,0,0]=4 510 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO WXVL_AK0073SB1186 [1,1,0,0,0,0|2,0,0]=4 511 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO WXVL_AK0073SB1186 [1,1,0,0,0,0|2,0,0]=4 512 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [1,1,0,0,0,0|1,0,0]=3 513 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [1,1,0,0,0,0|1,0,0]=3 514 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [1,1,0,0,0,0|1,0,0]=3 515 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [1,1,0,0,0,0|1,0,0]=3 516 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00440SB1601 [1,1,0,0,0,0|2,0,0]=4 517 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00440SB1601 [1,1,0,0,0,0|2,0,0]=4 518 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00440SB0417 [1,1,0,0,0,0|2,0,0]=4 519 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00440SB0417 [1,1,0,0,0,0|2,0,0]=4 520 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO WXVL_AK0073SB1601 [1,1,0,0,0,0|2,0,0]=4 521 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO WXVL_AK0073SB1601 [1,1,0,0,0,0|2,0,0]=4 522 B16R1.52 O=C(C=Cc1cccc(c1)O)NCCCO WXVL_AK0073SB0417 [1,1,0,0,0,0|2,0,0]=4 523 B16R1.52 O=C(C=Cc1cccc(c1)O)NCCCO WXVL_AK0073SB0417 [1,1,0,0,0,0|2,0,0]=4 524 B16R1.688 C#CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00218SB0115 [1,1,0,0,0,0|1,0,1]=4 525 B16R1.688 C#CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00218SB0115 [1,1,0,0,0,0|1,0,1]=4 526 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [1,1,0,0,0,0|1,0,0]=3 527 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [1,1,0,0,0,0|1,0,0]=3 528 B16R1.688 CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0076SA0193 [1,1,0,0,0,0|2,0,0]=4 529 B16R1.688 CCCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0076SA0193 [1,1,0,0,0,0|2,0,0]=4 530 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [1,1,0,0,0,0|1,0,0]=3 531 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [1,1,0,0,0,0|1,0,0]=3 532 B16R1.688 CCSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00494SA0193 [1,1,0,0,0,0|2,0,0]=4 533 B16R1.688 CCSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00494SA0193 [1,1,0,0,0,0|2,0,0]=4 534 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [1,1,0,0,0,0|1,0,0]=3 535 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [1,1,0,0,0,0|1,0,0]=3 536 B16R1.688 COCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00637SA0193 [1,1,0,0,0,0|2,0,0]=4 537 B16R1.688 COCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00637SA0193 [1,1,0,0,0,0|2,0,0]=4 538 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [1,1,0,0,0,0|1,0,0]=3 539 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [1,1,0,0,0,0|1,0,0]=3 540 B16R1.688 CSCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0965SA0193 [1,1,0,0,0,0|2,0,0]=4 541 B16R1.688 CSCCCNC(=O)/C=C/c1cccnc1 WXVL_AK0965SA0193 [1,1,0,0,0,0|2,0,0]=4 542 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [1,1,0,0,0,0|1,0,0]=3 543 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [1,1,0,0,0,0|1,0,0]=3 544 B16R1.688 O=C(/C=C/c1cccnc1)NCCCCO WXVL_AK0075SA0193 [1,1,0,0,0,0|2,0,0]=4 545 B16R1.688 O=C(/C=C/c1cccnc1)NCCCCO WXVL_AK0075SA0193 [1,1,0,0,0,0|2,0,0]=4 546 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC WXVL_AK00588SB0413 [1,1,0,0,0,0|1,0,1]=4 547 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC WXVL_AK00588SB0413 [1,1,0,0,0,0|1,0,1]=4 548 B16R1.1216 CCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00588SA1933 [1,1,0,0,0,0|2,0,0]=4 549 B16R1.1216 CCCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00588SA1933 [1,1,0,0,0,0|2,0,0]=4 550 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [1,1,0,0,0,0|2,0,0]=4 551 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [1,1,0,0,0,0|2,0,0]=4 552 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [1,1,0,0,0,0|2,0,0]=4 553 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [1,1,0,0,0,0|2,0,0]=4 554 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [1,1,0,0,0,0|2,0,0]=4 555 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [1,1,0,0,0,0|2,0,0]=4 556 B16R1.1516 COCCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0085SB0115 [1,1,0,0,0,0|2,0,0]=4 557 B16R1.1516 COCCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0085SB0115 [1,1,0,0,0,0|2,0,0]=4 558 B16R1.1570 CC(CCO)NC(=O)/C=C/c1ccccc1 WXVL_AK1288SB0115 [1,1,0,0,0,0|2,0,0]=4 559 B16R1.1570 CC(CCO)NC(=O)/C=C/c1ccccc1 WXVL_AK1288SB0115 [1,1,0,0,0,0|2,0,0]=4 560 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [1,1,0,0,0,0|1,0,0]=3 561 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [1,1,0,0,0,0|1,0,0]=3 562 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00682SA0193 [1,1,0,0,0,0|2,0,0]=4 563 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00682SA0193 [1,1,0,0,0,0|2,0,0]=4 564 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00613SB0115 [1,1,0,0,0,0|2,0,0]=4 565 B16R1.1570 COC[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00613SB0115 [1,1,0,0,0,0|2,0,0]=4 566 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK0137SB0115 [1,1,0,0,0,0|2,0,0]=4 567 B16R1.1570 COC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK0137SB0115 [1,1,0,0,0,0|2,0,0]=4 568 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [1,1,0,0,0,0|1,0,0]=3 569 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [1,1,0,0,0,0|1,0,0]=3 570 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00440SB3065 [1,1,0,0,0,0|2,0,0]=4 571 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br WXVL_AK00440SB3065 [1,1,0,0,0,0|2,0,0]=4 572 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO WXVL_AK0073SB3065 [1,1,0,0,0,0|2,0,0]=4 573 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO WXVL_AK0073SB3065 [1,1,0,0,0,0|2,0,0]=4 574 B16R1.20527 CCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00588HU0026 [1,1,0,0,0,0|2,0,0]=4 575 B16R1.20527 CCCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00588HU0026 [1,1,0,0,0,0|2,0,0]=4 576 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1ccco1 WXVL_AK4143SA0180 [0,1,0,0,1,0|2,0,0]=4 577 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1ccco1 WXVL_AK4143SA0180 [0,1,0,0,1,0|2,0,0]=4 578 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1cccs1 WXVL_AK4143SA0001 [0,1,0,0,1,0|2,0,0]=4 579 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1cccs1 WXVL_AK4143SA0001 [0,1,0,0,1,0|2,0,0]=4 580 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1ccoc1 WXVL_AK4143SA0047 [0,1,0,0,1,0|2,0,0]=4 581 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1ccoc1 WXVL_AK4143SA0047 [0,1,0,0,1,0|2,0,0]=4 582 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1ccsc1 WXVL_AK4143SA0251 [0,1,0,0,1,0|2,0,0]=4 583 B16R1.1163 CC(CO)CCNC(=O)/C=C/c1ccsc1 WXVL_AK4143SA0251 [0,1,0,0,1,0|2,0,0]=4 584 B16R1.6893 Cc1ccc(s1)/C=C/C(=O)NCCC(C)C WXVL_AK0068SA1334 [0,1,0,0,1,0|2,0,0]=4 585 B16R1.6893 Cc1ccc(s1)/C=C/C(=O)NCCC(C)C WXVL_AK0068SA1334 [0,1,0,0,1,0|2,0,0]=4 586 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1ccco1 WXVL_AK1558SA0180 [0,1,0,0,1,0|2,0,0]=4 587 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1ccco1 WXVL_AK1558SA0180 [0,1,0,0,1,0|2,0,0]=4 588 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1cccs1 WXVL_AK1558SA0001 [0,1,0,0,1,0|2,0,0]=4 589 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1cccs1 WXVL_AK1558SA0001 [0,1,0,0,1,0|2,0,0]=4 590 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1ccoc1 WXVL_AK1558SA0047 [0,1,0,0,1,0|2,0,0]=4 591 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1ccoc1 WXVL_AK1558SA0047 [0,1,0,0,1,0|2,0,0]=4 592 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1ccsc1 WXVL_AK1558SA0251 [0,1,0,0,1,0|2,0,0]=4 593 B16R1.26712 CC(C)(O)CCNC(=O)/C=C/c1ccsc1 WXVL_AK1558SA0251 [0,1,0,0,1,0|2,0,0]=4 594 B16R1.613 CC(C)CCNC(=O)C(=O)c1ccccc1 WXVL_AK0068SB0050 [0,1,0,0,1,0|1,0,0]=3 595 B16R1.613 CC(C)CCNC(=O)C(=O)c1ccccc1 WXVL_AK0068SB0050 [0,1,0,0,1,0|1,0,0]=3 596 B16R1.613 CC(C)CCNC(=O)C(C)c1ccccc1 WXVL_AK0068SB2326 [0,1,0,0,1,0|1,0,1]=4 597 B16R1.613 CC(C)CCNC(=O)C(C)c1ccccc1 WXVL_AK0068SB2326 [0,1,0,0,1,0|1,0,1]=4 598 B16R1.613 CC(C)CCNC(=O)C(O)c1ccccc1 WXVL_AK0068SB0168 [0,1,0,0,1,0|1,0,1]=4 599 B16R1.613 CC(C)CCNC(=O)C(O)c1ccccc1 WXVL_AK0068SB0168 [0,1,0,0,1,0|1,0,1]=4 600 B16R1.613 CN(C)CCNC(=O)C(=O)c1ccccc1 WXVL_AK0058SB0050 [0,1,0,0,1,0|2,0,0]=4 601 B16R1.613 CN(C)CCNC(=O)C(=O)c1ccccc1 WXVL_AK0058SB0050 [0,1,0,0,1,0|2,0,0]=4 602 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB1301 [0,1,0,0,1,0|2,0,0]=4 603 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB1301 [0,1,0,0,1,0|2,0,0]=4 604 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB1301 [0,1,0,0,1,0|2,0,0]=4 605 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB1301 [0,1,0,0,1,0|2,0,0]=4 606 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br WXVL_AK0068SB0926 [0,1,0,0,1,0|1,0,1]=4 607 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br WXVL_AK0068SB0926 [0,1,0,0,1,0|1,0,1]=4 608 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK0068SB0107 [0,1,0,0,1,0|1,0,1]=4 609 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK0068SB0107 [0,1,0,0,1,0|1,0,1]=4 610 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F WXVL_AK0068SB0106 [0,1,0,0,1,0|1,0,1]=4 611 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F WXVL_AK0068SB0106 [0,1,0,0,1,0|1,0,1]=4 612 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O WXVL_AK0068SB0110 [0,1,0,0,1,0|1,0,1]=4 613 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O WXVL_AK0068SB0110 [0,1,0,0,1,0|1,0,1]=4 614 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Cl WXVL_AK0068YV0023 [0,1,0,0,1,0|2,0,0]=4 615 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Cl WXVL_AK0068YV0023 [0,1,0,0,1,0|2,0,0]=4 616 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C WXVL_AK0068SB0112 [0,1,0,0,1,0|1,0,1]=4 617 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C WXVL_AK0068SB0112 [0,1,0,0,1,0|1,0,1]=4 618 B16R1.1067 Cc1ccc(cc1)NC(=O)NCCC(C)C WXVL_AK0068YV0026 [0,1,0,0,1,0|2,0,0]=4 619 B16R1.1067 Cc1ccc(cc1)NC(=O)NCCC(C)C WXVL_AK0068YV0026 [0,1,0,0,1,0|2,0,0]=4 620 B16R1.1329 CC(CO)CCNC(=O)Cc1ccccc1 WXVL_AK4143SB0092 [0,1,0,0,1,0|1,0,1]=4 621 B16R1.1329 CC(CO)CCNC(=O)Cc1ccccc1 WXVL_AK4143SB0092 [0,1,0,0,1,0|1,0,1]=4 622 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Br WXVL_AG00180SB1301 [0,1,0,0,1,0|2,0,0]=4 623 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Br WXVL_AG00180SB1301 [0,1,0,0,1,0|2,0,0]=4 624 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB1301 [0,1,0,0,1,0|2,0,0]=4 625 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB1301 [0,1,0,0,1,0|2,0,0]=4 626 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I WXVL_AG0385SB1301 [0,1,0,0,1,0|2,0,0]=4 627 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I WXVL_AG0385SB1301 [0,1,0,0,1,0|2,0,0]=4 628 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br WXVL_AK0068SB0093 [0,1,0,0,1,0|1,0,1]=4 629 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br WXVL_AK0068SB0093 [0,1,0,0,1,0|1,0,1]=4 630 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl WXVL_AK0068SB0095 [0,1,0,0,1,0|1,0,1]=4 631 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl WXVL_AK0068SB0095 [0,1,0,0,1,0|1,0,1]=4 632 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F WXVL_AK0068SB0094 [0,1,0,0,1,0|1,0,1]=4 633 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F WXVL_AK0068SB0094 [0,1,0,0,1,0|1,0,1]=4 634 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I WXVL_AK0068SB1145 [0,1,0,0,1,0|1,0,1]=4 635 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I WXVL_AK0068SB1145 [0,1,0,0,1,0|1,0,1]=4 636 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1O WXVL_AK0068SB0400 [0,1,0,0,1,0|1,0,1]=4 637 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1O WXVL_AK0068SB0400 [0,1,0,0,1,0|1,0,1]=4 638 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Br WXVL_AK0068YV0003 [0,1,0,0,1,0|2,0,0]=4 639 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Br WXVL_AK0068YV0003 [0,1,0,0,1,0|2,0,0]=4 640 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Cl WXVL_AK0068YV0007 [0,1,0,0,1,0|2,0,0]=4 641 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Cl WXVL_AK0068YV0007 [0,1,0,0,1,0|2,0,0]=4 642 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C WXVL_AK0068SB0098 [0,1,0,0,1,0|1,0,1]=4 643 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C WXVL_AK0068SB0098 [0,1,0,0,1,0|1,0,1]=4 644 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C WXVL_AG0027SB1301 [0,1,0,0,1,0|2,0,0]=4 645 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C WXVL_AG0027SB1301 [0,1,0,0,1,0|2,0,0]=4 646 B16R1.7414 Cc1ccccc1NC(=O)NCCC(C)C WXVL_AK0068YV0013 [0,1,0,0,1,0|2,0,0]=4 647 B16R1.7414 Cc1ccccc1NC(=O)NCCC(C)C WXVL_AK0068YV0013 [0,1,0,0,1,0|2,0,0]=4 648 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I WXVL_AG0649SB1301 [0,1,0,0,1,0|2,0,0]=4 649 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I WXVL_AG0649SB1301 [0,1,0,0,1,0|2,0,0]=4 650 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O WXVL_AG00200SB1301 [0,1,0,0,1,0|2,0,0]=4 651 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O WXVL_AG00200SB1301 [0,1,0,0,1,0|2,0,0]=4 652 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br WXVL_AK0068SB0099 [0,1,0,0,1,0|1,0,1]=4 653 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br WXVL_AK0068SB0099 [0,1,0,0,1,0|1,0,1]=4 654 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl WXVL_AK0068SB0101 [0,1,0,0,1,0|1,0,1]=4 655 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl WXVL_AK0068SB0101 [0,1,0,0,1,0|1,0,1]=4 656 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F WXVL_AK0068SB0100 [0,1,0,0,1,0|1,0,1]=4 657 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F WXVL_AK0068SB0100 [0,1,0,0,1,0|1,0,1]=4 658 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)O WXVL_AK0068SB0104 [0,1,0,0,1,0|1,0,1]=4 659 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)O WXVL_AK0068SB0104 [0,1,0,0,1,0|1,0,1]=4 660 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Br WXVL_AK0068YV0098 [0,1,0,0,1,0|2,0,0]=4 661 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Br WXVL_AK0068YV0098 [0,1,0,0,1,0|2,0,0]=4 662 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Cl WXVL_AK0068YV0016 [0,1,0,0,1,0|2,0,0]=4 663 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Cl WXVL_AK0068YV0016 [0,1,0,0,1,0|2,0,0]=4 664 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C WXVL_AK0068SB0105 [0,1,0,0,1,0|1,0,1]=4 665 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C WXVL_AK0068SB0105 [0,1,0,0,1,0|1,0,1]=4 666 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C WXVL_AG0052SB1301 [0,1,0,0,1,0|2,0,0]=4 667 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C WXVL_AG0052SB1301 [0,1,0,0,1,0|2,0,0]=4 668 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)C WXVL_AK0068YV0020 [0,1,0,0,1,0|2,0,0]=4 669 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)C WXVL_AK0068YV0020 [0,1,0,0,1,0|2,0,0]=4 670 B16R1.59031 CC(C)(O)CCNC(=O)Cc1ccccc1 WXVL_AK1558SB0092 [0,1,0,0,1,0|1,0,1]=4 671 B16R1.59031 CC(C)(O)CCNC(=O)Cc1ccccc1 WXVL_AK1558SB0092 [0,1,0,0,1,0|1,0,1]=4 672 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0354 [0,1,0,0,1,0|1,0,1]=4 673 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0354 [0,1,0,0,1,0|1,0,1]=4 674 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0354 [0,1,0,0,1,0|1,0,1]=4 675 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0354 [0,1,0,0,1,0|1,0,1]=4 676 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F WXVL_AK0037SB0354 [0,1,0,0,1,0|1,0,1]=4 677 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F WXVL_AK0037SB0354 [0,1,0,0,1,0|1,0,1]=4 678 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I WXVL_AK3923SB0354 [0,1,0,0,1,0|1,0,1]=4 679 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I WXVL_AK3923SB0354 [0,1,0,0,1,0|1,0,1]=4 680 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O WXVL_AK0963SB0354 [0,1,0,0,1,0|1,0,1]=4 681 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O WXVL_AK0963SB0354 [0,1,0,0,1,0|1,0,1]=4 682 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00544SB3065 [0,1,0,0,1,0|1,0,0]=3 683 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00544SB3065 [0,1,0,0,1,0|1,0,0]=3 684 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0052SB3065 [0,1,0,0,1,0|2,0,0]=4 685 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0052SB3065 [0,1,0,0,1,0|2,0,0]=4 686 B16R1.400 C[C@H](O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0113SB3065 [0,1,0,0,1,0|2,0,0]=4 687 B16R1.400 C[C@H](O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0113SB3065 [0,1,0,0,1,0|2,0,0]=4 688 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C WXVL_AK0040SB0354 [0,1,0,0,1,0|1,0,1]=4 689 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C WXVL_AK0040SB0354 [0,1,0,0,1,0|1,0,1]=4 690 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0354 [0,1,0,0,1,0|1,0,1]=4 691 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0354 [0,1,0,0,1,0|1,0,1]=4 692 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0354 [0,1,0,0,1,0|1,0,1]=4 693 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0354 [0,1,0,0,1,0|1,0,1]=4 694 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0354 [0,1,0,0,1,0|1,0,1]=4 695 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0354 [0,1,0,0,1,0|1,0,1]=4 696 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0354 [0,1,0,0,1,0|1,0,1]=4 697 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0354 [0,1,0,0,1,0|1,0,1]=4 698 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0354 [0,1,0,0,1,0|1,0,1]=4 699 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0354 [0,1,0,0,1,0|1,0,1]=4 700 B16R1.1061 CC(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00544SB0418 [0,1,0,0,1,0|1,0,0]=3 701 B16R1.1061 CC(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00544SB0418 [0,1,0,0,1,0|1,0,0]=3 702 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00544SB1122 [0,1,0,0,1,0|1,0,0]=3 703 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00544SB1122 [0,1,0,0,1,0|1,0,0]=3 704 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00544SB0119 [0,1,0,0,1,0|1,0,0]=3 705 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00544SB0119 [0,1,0,0,1,0|1,0,0]=3 706 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00544SB1186 [0,1,0,0,1,0|1,0,0]=3 707 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00544SB1186 [0,1,0,0,1,0|1,0,0]=3 708 B16R1.1061 CC(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0052SB0418 [0,1,0,0,1,0|2,0,0]=4 709 B16R1.1061 CC(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0052SB0418 [0,1,0,0,1,0|2,0,0]=4 710 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0052SB1122 [0,1,0,0,1,0|2,0,0]=4 711 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0052SB1122 [0,1,0,0,1,0|2,0,0]=4 712 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0052SB0119 [0,1,0,0,1,0|2,0,0]=4 713 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0052SB0119 [0,1,0,0,1,0|2,0,0]=4 714 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0052SB1186 [0,1,0,0,1,0|2,0,0]=4 715 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0052SB1186 [0,1,0,0,1,0|2,0,0]=4 716 B16R1.1061 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0113SB0418 [0,1,0,0,1,0|2,0,0]=4 717 B16R1.1061 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0113SB0418 [0,1,0,0,1,0|2,0,0]=4 718 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0113SB1122 [0,1,0,0,1,0|2,0,0]=4 719 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0113SB1122 [0,1,0,0,1,0|2,0,0]=4 720 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0113SB0119 [0,1,0,0,1,0|2,0,0]=4 721 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0113SB0119 [0,1,0,0,1,0|2,0,0]=4 722 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0113SB1186 [0,1,0,0,1,0|2,0,0]=4 723 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0113SB1186 [0,1,0,0,1,0|2,0,0]=4 724 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C WXVL_AK00544SB0060 [0,1,0,0,1,0|1,0,0]=3 725 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C WXVL_AK00544SB0060 [0,1,0,0,1,0|1,0,0]=3 726 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O WXVL_AK0052SB0060 [0,1,0,0,1,0|2,0,0]=4 727 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O WXVL_AK0052SB0060 [0,1,0,0,1,0|2,0,0]=4 728 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0060 [0,1,0,0,1,0|2,0,0]=4 729 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0060 [0,1,0,0,1,0|2,0,0]=4 730 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C WXVL_AK0048SB0354 [0,1,0,0,1,0|1,0,1]=4 731 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C WXVL_AK0048SB0354 [0,1,0,0,1,0|1,0,1]=4 732 B16R1.1771 CC(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00544HU0026 [0,1,0,0,1,0|2,0,0]=4 733 B16R1.1771 CC(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00544HU0026 [0,1,0,0,1,0|2,0,0]=4 734 B16R1.6944 CC(C)CC(O)C(=O)NCc1ccccc1 WXVL_AK00502SB4281 [0,1,0,0,1,0|1,0,1]=4 735 B16R1.6944 CC(C)CC(O)C(=O)NCc1ccccc1 WXVL_AK00502SB4281 [0,1,0,0,1,0|1,0,1]=4 736 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,1,0,0,1,0|2,0,0]=4 737 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,1,0,0,1,0|2,0,0]=4 738 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0354 [0,1,0,0,1,0|1,0,1]=4 739 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0354 [0,1,0,0,1,0|1,0,1]=4 740 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0354 [0,1,0,0,1,0|1,0,1]=4 741 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0354 [0,1,0,0,1,0|1,0,1]=4 742 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0354 [0,1,0,0,1,0|1,0,1]=4 743 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0354 [0,1,0,0,1,0|1,0,1]=4 744 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0354 [0,1,0,0,1,0|1,0,1]=4 745 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0354 [0,1,0,0,1,0|1,0,1]=4 746 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0354 [0,1,0,0,1,0|1,0,1]=4 747 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0354 [0,1,0,0,1,0|1,0,1]=4 748 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00544SB1601 [0,1,0,0,1,0|1,0,0]=3 749 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00544SB1601 [0,1,0,0,1,0|1,0,0]=3 750 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00544SB0417 [0,1,0,0,1,0|1,0,0]=3 751 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00544SB0417 [0,1,0,0,1,0|1,0,0]=3 752 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0052SB1601 [0,1,0,0,1,0|2,0,0]=4 753 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0052SB1601 [0,1,0,0,1,0|2,0,0]=4 754 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0052SB0417 [0,1,0,0,1,0|2,0,0]=4 755 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0052SB0417 [0,1,0,0,1,0|2,0,0]=4 756 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0113SB1601 [0,1,0,0,1,0|2,0,0]=4 757 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0113SB1601 [0,1,0,0,1,0|2,0,0]=4 758 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0113SB0417 [0,1,0,0,1,0|2,0,0]=4 759 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0113SB0417 [0,1,0,0,1,0|2,0,0]=4 760 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C WXVL_AK0045SB0354 [0,1,0,0,1,0|1,0,1]=4 761 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C WXVL_AK0045SB0354 [0,1,0,0,1,0|1,0,1]=4 762 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00655SB0115 [0,1,0,0,1,0|1,0,0]=3 763 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00655SB0115 [0,1,0,0,1,0|1,0,0]=3 764 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00655SA0193 [0,1,0,0,1,0|2,0,0]=4 765 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00655SA0193 [0,1,0,0,1,0|2,0,0]=4 766 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK00660SB0115 [0,1,0,0,1,0|1,0,0]=3 767 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK00660SB0115 [0,1,0,0,1,0|1,0,0]=3 768 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK00660SA0193 [0,1,0,0,1,0|2,0,0]=4 769 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK00660SA0193 [0,1,0,0,1,0|2,0,0]=4 770 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0490SB0115 [0,1,0,0,1,0|1,0,0]=3 771 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0490SB0115 [0,1,0,0,1,0|1,0,0]=3 772 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0490SA0193 [0,1,0,0,1,0|2,0,0]=4 773 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0490SA0193 [0,1,0,0,1,0|2,0,0]=4 774 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK0308SB0115 [0,1,0,0,1,0|2,0,0]=4 775 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK0308SB0115 [0,1,0,0,1,0|2,0,0]=4 776 B18R1.979 CC(C)OCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0128SB0418 [0,1,0,0,0,1|1,0,0]=3 777 B18R1.979 CC(C)OCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0128SB0418 [0,1,0,0,0,1|1,0,0]=3 778 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0128SB1122 [0,1,0,0,0,1|1,0,0]=3 779 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0128SB1122 [0,1,0,0,0,1|1,0,0]=3 780 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0128SB0119 [0,1,0,0,0,1|1,0,0]=3 781 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0128SB0119 [0,1,0,0,0,1|1,0,0]=3 782 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0128SB1186 [0,1,0,0,0,1|1,0,0]=3 783 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0128SB1186 [0,1,0,0,0,1|1,0,0]=3 784 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCOC(C)C WXVL_AK0128SB0060 [0,1,0,0,0,1|1,0,0]=3 785 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCOC(C)C WXVL_AK0128SB0060 [0,1,0,0,0,1|1,0,0]=3 786 B18R1.1152 CC(C)OCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0128YV0027 [0,1,0,0,0,1|2,0,0]=4 787 B18R1.1152 CC(C)OCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0128YV0027 [0,1,0,0,0,1|2,0,0]=4 788 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Br WXVL_AK0128SB3065 [0,1,0,0,0,1|1,0,0]=3 789 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Br WXVL_AK0128SB3065 [0,1,0,0,0,1|1,0,0]=3 790 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0128SB1601 [0,1,0,0,0,1|1,0,0]=3 791 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0128SB1601 [0,1,0,0,0,1|1,0,0]=3 792 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0128SB0417 [0,1,0,0,0,1|1,0,0]=3 793 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)O WXVL_AK0128SB0417 [0,1,0,0,0,1|1,0,0]=3 794 B18R1.20704 C/C(=C\c1cccnc1)/C(=O)NCCOC(C)C WXVL_AK0128SA1933 [0,1,0,0,0,1|2,0,0]=4 795 B18R1.20704 C/C(=C\c1cccnc1)/C(=O)NCCOC(C)C WXVL_AK0128SA1933 [0,1,0,0,0,1|2,0,0]=4 796 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCOC(C)C WXVL_AK0128SB0413 [0,1,0,0,0,1|1,0,1]=4 797 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCOC(C)C WXVL_AK0128SB0413 [0,1,0,0,0,1|1,0,1]=4 798 B18R1.36789 CC(C)OCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0128HU0026 [0,1,0,0,0,1|2,0,0]=4 799 B18R1.36789 CC(C)OCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0128HU0026 [0,1,0,0,0,1|2,0,0]=4 800 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK0068SB0466 [0,1,0,0,0,1|1,0,1]=4 801 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK0068SB0466 [0,1,0,0,0,1|1,0,1]=4 802 B18R1.1066 CC(CO)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK4143YV0027 [0,2,0,0,0,0|2,0,0]=4 803 B18R1.1066 CC(CO)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK4143YV0027 [0,2,0,0,0,0|2,0,0]=4 804 B18R1.177105 CC(C)(O)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK1558YV0027 [0,2,0,0,0,0|2,0,0]=4 805 B18R1.177105 CC(C)(O)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK1558YV0027 [0,2,0,0,0,0|2,0,0]=4 806 B18R1.219 COc1ccc(cc1)/C=C/C(=O)NCCC(C)C WXVL_AK0068SB0120 [0,2,0,0,0,0|1,0,0]=3 807 B18R1.219 COc1ccc(cc1)/C=C/C(=O)NCCC(C)C WXVL_AK0068SB0120 [0,2,0,0,0,0|1,0,0]=3 808 B18R1.219 COc1ccc(cc1)/C=C/C(=O)NCCN(C)C WXVL_AK0058SB0120 [0,2,0,0,0,0|2,0,0]=4 809 B18R1.219 COc1ccc(cc1)/C=C/C(=O)NCCN(C)C WXVL_AK0058SB0120 [0,2,0,0,0,0|2,0,0]=4 810 B18R1.978 CC(C)(O)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK1558SB0418 [0,2,0,0,0,0|1,0,0]=3 811 B18R1.978 CC(C)(O)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK1558SB0418 [0,2,0,0,0,0|1,0,0]=3 812 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK1558SB1122 [0,2,0,0,0,0|1,0,0]=3 813 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK1558SB1122 [0,2,0,0,0,0|1,0,0]=3 814 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK1558SB0119 [0,2,0,0,0,0|1,0,0]=3 815 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK1558SB0119 [0,2,0,0,0,0|1,0,0]=3 816 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK1558SB1186 [0,2,0,0,0,0|1,0,0]=3 817 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK1558SB1186 [0,2,0,0,0,0|1,0,0]=3 818 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)O WXVL_AK1558SB0060 [0,2,0,0,0,0|1,0,0]=3 819 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)O WXVL_AK1558SB0060 [0,2,0,0,0,0|1,0,0]=3 820 B18R1.980 CN(C)CCN(C)C(=O)/C=C/c1ccc(cc1)O WXVL_AN0052SB0418 [0,2,0,0,0,0|2,0,0]=4 821 B18R1.980 CN(C)CCN(C)C(=O)/C=C/c1ccc(cc1)O WXVL_AN0052SB0418 [0,2,0,0,0,0|2,0,0]=4 822 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)Br WXVL_AN0052SB1122 [0,2,0,0,0,0|2,0,0]=4 823 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)Br WXVL_AN0052SB1122 [0,2,0,0,0,0|2,0,0]=4 824 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN0052SB0119 [0,2,0,0,0,0|2,0,0]=4 825 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)Cl WXVL_AN0052SB0119 [0,2,0,0,0,0|2,0,0]=4 826 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)F WXVL_AN0052SB1186 [0,2,0,0,0,0|2,0,0]=4 827 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)F WXVL_AN0052SB1186 [0,2,0,0,0,0|2,0,0]=4 828 B18R1.980 Cc1ccc(cc1)C=CC(=O)N(C)CCN(C)C WXVL_AN0052SB0060 [0,2,0,0,0,0|2,0,0]=4 829 B18R1.980 Cc1ccc(cc1)C=CC(=O)N(C)CCN(C)C WXVL_AN0052SB0060 [0,2,0,0,0,0|2,0,0]=4 830 B18R1.1082 CC(CO)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK4143SB0418 [0,2,0,0,0,0|1,0,0]=3 831 B18R1.1082 CC(CO)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK4143SB0418 [0,2,0,0,0,0|1,0,0]=3 832 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK4143SB1122 [0,2,0,0,0,0|1,0,0]=3 833 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK4143SB1122 [0,2,0,0,0,0|1,0,0]=3 834 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK4143SB0119 [0,2,0,0,0,0|1,0,0]=3 835 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK4143SB0119 [0,2,0,0,0,0|1,0,0]=3 836 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK4143SB1186 [0,2,0,0,0,0|1,0,0]=3 837 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK4143SB1186 [0,2,0,0,0,0|1,0,0]=3 838 B18R1.1082 Cc1ccc(cc1)C=CC(=O)NCCC(C)CO WXVL_AK4143SB0060 [0,2,0,0,0,0|1,0,0]=3 839 B18R1.1082 Cc1ccc(cc1)C=CC(=O)NCCC(C)CO WXVL_AK4143SB0060 [0,2,0,0,0,0|1,0,0]=3 840 B18R1.9307 CC(C)CCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK0068SB2710 [0,2,0,0,0,0|1,0,1]=4 841 B18R1.9307 CC(C)CCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK0068SB2710 [0,2,0,0,0,0|1,0,1]=4 842 B18R1.9308 CC(CN(C)C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0938SB0418 [0,2,0,0,0,0|2,0,0]=4 843 B18R1.9308 CC(CN(C)C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0938SB0418 [0,2,0,0,0,0|2,0,0]=4 844 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0938SB1122 [0,2,0,0,0,0|2,0,0]=4 845 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0938SB1122 [0,2,0,0,0,0|2,0,0]=4 846 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0938SB0119 [0,2,0,0,0,0|2,0,0]=4 847 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0938SB0119 [0,2,0,0,0,0|2,0,0]=4 848 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0938SB1186 [0,2,0,0,0,0|2,0,0]=4 849 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0938SB1186 [0,2,0,0,0,0|2,0,0]=4 850 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CN(C)C WXVL_AK0938SB0060 [0,2,0,0,0,0|2,0,0]=4 851 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CN(C)C WXVL_AK0938SB0060 [0,2,0,0,0,0|2,0,0]=4 852 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0068SB5557 [0,2,0,0,0,0|1,0,0]=3 853 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0068SB5557 [0,2,0,0,0,0|1,0,0]=3 854 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0068SB8094 [0,2,0,0,0,0|1,0,0]=3 855 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0068SB8094 [0,2,0,0,0,0|1,0,0]=3 856 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0068SB1318 [0,2,0,0,0,0|1,0,0]=3 857 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0068SB1318 [0,2,0,0,0,0|1,0,0]=3 858 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0068SB1257 [0,2,0,0,0,0|1,0,0]=3 859 B18R1.10321 CC(C)CCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0068SB1257 [0,2,0,0,0,0|1,0,0]=3 860 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0068SB0256 [0,2,0,0,0,0|1,0,0]=3 861 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0068SB0256 [0,2,0,0,0,0|1,0,0]=3 862 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0068SB3115 [0,2,0,0,0,0|1,0,0]=3 863 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0068SB3115 [0,2,0,0,0,0|1,0,0]=3 864 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0068SB0235 [0,2,0,0,0,0|1,0,0]=3 865 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0068SB0235 [0,2,0,0,0,0|1,0,0]=3 866 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0058SB5557 [0,2,0,0,0,0|2,0,0]=4 867 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0058SB5557 [0,2,0,0,0,0|2,0,0]=4 868 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0058SB8094 [0,2,0,0,0,0|2,0,0]=4 869 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0058SB8094 [0,2,0,0,0,0|2,0,0]=4 870 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0058SB1318 [0,2,0,0,0,0|2,0,0]=4 871 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0058SB1318 [0,2,0,0,0,0|2,0,0]=4 872 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0058SB1257 [0,2,0,0,0,0|2,0,0]=4 873 B18R1.10321 CN(C)CCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0058SB1257 [0,2,0,0,0,0|2,0,0]=4 874 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0058SB0256 [0,2,0,0,0,0|2,0,0]=4 875 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0058SB0256 [0,2,0,0,0,0|2,0,0]=4 876 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0058SB3115 [0,2,0,0,0,0|2,0,0]=4 877 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0058SB3115 [0,2,0,0,0,0|2,0,0]=4 878 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0058SB0235 [0,2,0,0,0,0|2,0,0]=4 879 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0058SB0235 [0,2,0,0,0,0|2,0,0]=4 880 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0068SB0118 [0,2,0,0,0,0|1,0,0]=3 881 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0068SB0118 [0,2,0,0,0,0|1,0,0]=3 882 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0058SB0118 [0,2,0,0,0,0|2,0,0]=4 883 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0058SB0118 [0,2,0,0,0,0|2,0,0]=4 884 B18R1.912 CN(CCN)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4182SB0115 [0,2,0,0,0,0|2,0,0]=4 885 B18R1.912 CN(CCN)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4182SB0115 [0,2,0,0,0,0|2,0,0]=4 886 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK4143SB1601 [0,2,0,0,0,0|1,0,0]=3 887 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK4143SB1601 [0,2,0,0,0,0|1,0,0]=3 888 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK4143SB0417 [0,2,0,0,0,0|1,0,0]=3 889 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK4143SB0417 [0,2,0,0,0,0|1,0,0]=3 890 B18R1.1192 C/C(=C\c1cccnc1)/C(=O)NCCC(C)CO WXVL_AK4143SA1933 [0,2,0,0,0,0|2,0,0]=4 891 B18R1.1192 C/C(=C\c1cccnc1)/C(=O)NCCC(C)CO WXVL_AK4143SA1933 [0,2,0,0,0,0|2,0,0]=4 892 B18R1.1192 C=C(Cc1ccccc1)C(=O)NCCC(C)CO WXVL_AK4143SB0413 [0,2,0,0,0,0|1,0,1]=4 893 B18R1.1192 C=C(Cc1ccccc1)C(=O)NCCC(C)CO WXVL_AK4143SB0413 [0,2,0,0,0,0|1,0,1]=4 894 B18R1.33196 CC(CO)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK4143HU0026 [0,2,0,0,0,0|2,0,0]=4 895 B18R1.33196 CC(CO)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK4143HU0026 [0,2,0,0,0,0|2,0,0]=4 896 B18R1.33868 CC(CO)CCNC(=O)C=Cc1ccccc1Br WXVL_AK4143SB3065 [0,2,0,0,0,0|1,0,0]=3 897 B18R1.33868 CC(CO)CCNC(=O)C=Cc1ccccc1Br WXVL_AK4143SB3065 [0,2,0,0,0,0|1,0,0]=3 898 B18R1.10220 CN(C)CCN(C)C(=O)C=Cc1ccccc1Br WXVL_AN0052SB3065 [0,2,0,0,0,0|2,0,0]=4 899 B18R1.10220 CN(C)CCN(C)C(=O)C=Cc1ccccc1Br WXVL_AN0052SB3065 [0,2,0,0,0,0|2,0,0]=4 900 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)Cl WXVL_AN0052SB1601 [0,2,0,0,0,0|2,0,0]=4 901 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)Cl WXVL_AN0052SB1601 [0,2,0,0,0,0|2,0,0]=4 902 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)O WXVL_AN0052SB0417 [0,2,0,0,0,0|2,0,0]=4 903 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)O WXVL_AN0052SB0417 [0,2,0,0,0,0|2,0,0]=4 904 B18R1.10218 CC(C)(O)CCNC(=O)C=Cc1ccccc1Br WXVL_AK1558SB3065 [0,2,0,0,0,0|1,0,0]=3 905 B18R1.10218 CC(C)(O)CCNC(=O)C=Cc1ccccc1Br WXVL_AK1558SB3065 [0,2,0,0,0,0|1,0,0]=3 906 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1Br WXVL_AK0938SB3065 [0,2,0,0,0,0|2,0,0]=4 907 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1Br WXVL_AK0938SB3065 [0,2,0,0,0,0|2,0,0]=4 908 B18R1.59975 C/C(=C\c1cccnc1)/C(=O)NCCC(C)(C)O WXVL_AK1558SA1933 [0,2,0,0,0,0|2,0,0]=4 909 B18R1.59975 C/C(=C\c1cccnc1)/C(=O)NCCC(C)(C)O WXVL_AK1558SA1933 [0,2,0,0,0,0|2,0,0]=4 910 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)O WXVL_AK1558SB0413 [0,2,0,0,0,0|1,0,1]=4 911 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)O WXVL_AK1558SB0413 [0,2,0,0,0,0|1,0,1]=4 912 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0938SB1601 [0,2,0,0,0,0|2,0,0]=4 913 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0938SB1601 [0,2,0,0,0,0|2,0,0]=4 914 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0938SB0417 [0,2,0,0,0,0|2,0,0]=4 915 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0938SB0417 [0,2,0,0,0,0|2,0,0]=4 916 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK1558SB1601 [0,2,0,0,0,0|1,0,0]=3 917 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK1558SB1601 [0,2,0,0,0,0|1,0,0]=3 918 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK1558SB0417 [0,2,0,0,0,0|1,0,0]=3 919 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK1558SB0417 [0,2,0,0,0,0|1,0,0]=3 920 B18R1.39571 CC(C)CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0068SB2454 [0,2,0,0,0,0|1,0,0]=3 921 B18R1.39571 CC(C)CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0068SB2454 [0,2,0,0,0,0|1,0,0]=3 922 B18R1.39571 CN(C)CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0058SB2454 [0,2,0,0,0,0|2,0,0]=4 923 B18R1.39571 CN(C)CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0058SB2454 [0,2,0,0,0,0|2,0,0]=4 924 B18R1.39571 COc1cccc(c1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0458 [0,2,0,0,0,0|1,0,0]=3 925 B18R1.39571 COc1cccc(c1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0458 [0,2,0,0,0,0|1,0,0]=3 926 B18R1.39571 COc1cccc(c1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0458 [0,2,0,0,0,0|2,0,0]=4 927 B18R1.39571 COc1cccc(c1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0458 [0,2,0,0,0,0|2,0,0]=4 928 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0068SB1124 [0,2,0,0,0,0|1,0,0]=3 929 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0068SB1124 [0,2,0,0,0,0|1,0,0]=3 930 B18R1.96703 CN(C)CCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0058SB1124 [0,2,0,0,0,0|2,0,0]=4 931 B18R1.96703 CN(C)CCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0058SB1124 [0,2,0,0,0,0|2,0,0]=4 932 B18R1.57608 CC(C)(O)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK1558HU0026 [0,2,0,0,0,0|2,0,0]=4 933 B18R1.57608 CC(C)(O)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK1558HU0026 [0,2,0,0,0,0|2,0,0]=4 934 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK00511SB0115 [0,2,0,0,0,0|1,0,0]=3 935 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK00511SB0115 [0,2,0,0,0,0|1,0,0]=3 936 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK00511SA0193 [0,2,0,0,0,0|2,0,0]=4 937 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK00511SA0193 [0,2,0,0,0,0|2,0,0]=4 938 B18R1.21641 CC(C)C[C@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0366SB0115 [0,2,0,0,0,0|1,0,0]=3 939 B18R1.21641 CC(C)C[C@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0366SB0115 [0,2,0,0,0,0|1,0,0]=3 940 B18R1.21641 CC(C)C[C@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0366SA0193 [0,2,0,0,0,0|2,0,0]=4 941 B18R1.21641 CC(C)C[C@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0366SA0193 [0,2,0,0,0,0|2,0,0]=4 942 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [1,0,0,1,0,0|1,0,0]=3 943 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [1,0,0,1,0,0|1,0,0]=3 944 B16R2.2238 O=C(/C=C/c1cccnc1)N2CCCC2 WXVL_AN0008SA0193 [1,0,0,1,0,0|2,0,0]=4 945 B16R2.2238 O=C(/C=C/c1cccnc1)N2CCCC2 WXVL_AN0008SA0193 [1,0,0,1,0,0|2,0,0]=4 946 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CNC2 WXVL_AK1291SB0115 [1,0,0,1,0,0|2,0,0]=4 947 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CNC2 WXVL_AK1291SB0115 [1,0,0,1,0,0|2,0,0]=4 948 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CSC2 WXVL_AK2089SB0115 [1,0,0,1,0,0|2,0,0]=4 949 B16R2.44148 O=C(/C=C/c1ccccc1)NC2CSC2 WXVL_AK2089SB0115 [1,0,0,1,0,0|2,0,0]=4 950 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2ccco2 WXVL_AN0556SA0180 [0,0,0,1,1,0|2,0,0]=4 951 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2ccco2 WXVL_AN0556SA0180 [0,0,0,1,1,0|2,0,0]=4 952 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2cccs2 WXVL_AN0556SA0001 [0,0,0,1,1,0|2,0,0]=4 953 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2cccs2 WXVL_AN0556SA0001 [0,0,0,1,1,0|2,0,0]=4 954 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN0556SA0047 [0,0,0,1,1,0|2,0,0]=4 955 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN0556SA0047 [0,0,0,1,1,0|2,0,0]=4 956 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN0556SA0251 [0,0,0,1,1,0|2,0,0]=4 957 B16R2.2855 CC1CCN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN0556SA0251 [0,0,0,1,1,0|2,0,0]=4 958 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccco2 WXVL_AN00488SA0180 [0,0,0,1,1,0|2,0,0]=4 959 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccco2 WXVL_AN00488SA0180 [0,0,0,1,1,0|2,0,0]=4 960 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccs2 WXVL_AN00488SA0001 [0,0,0,1,1,0|2,0,0]=4 961 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccs2 WXVL_AN00488SA0001 [0,0,0,1,1,0|2,0,0]=4 962 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN00488SA0047 [0,0,0,1,1,0|2,0,0]=4 963 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN00488SA0047 [0,0,0,1,1,0|2,0,0]=4 964 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN00488SA0251 [0,0,0,1,1,0|2,0,0]=4 965 B16R2.2855 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN00488SA0251 [0,0,0,1,1,0|2,0,0]=4 966 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2ccco2 WXVL_AN00094SA0180 [0,0,0,1,1,0|2,0,0]=4 967 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2ccco2 WXVL_AN00094SA0180 [0,0,0,1,1,0|2,0,0]=4 968 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2cccs2 WXVL_AN00094SA0001 [0,0,0,1,1,0|2,0,0]=4 969 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2cccs2 WXVL_AN00094SA0001 [0,0,0,1,1,0|2,0,0]=4 970 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN00094SA0047 [0,0,0,1,1,0|2,0,0]=4 971 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN00094SA0047 [0,0,0,1,1,0|2,0,0]=4 972 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN00094SA0251 [0,0,0,1,1,0|2,0,0]=4 973 B16R2.2855 C[C@H]1CCN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN00094SA0251 [0,0,0,1,1,0|2,0,0]=4 974 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2ccco2 WXVL_AK0309SA0180 [0,0,0,1,1,0|2,0,0]=4 975 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2ccco2 WXVL_AK0309SA0180 [0,0,0,1,1,0|2,0,0]=4 976 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2cccs2 WXVL_AK0309SA0001 [0,0,0,1,1,0|2,0,0]=4 977 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2cccs2 WXVL_AK0309SA0001 [0,0,0,1,1,0|2,0,0]=4 978 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2ccoc2 WXVL_AK0309SA0047 [0,0,0,1,1,0|2,0,0]=4 979 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2ccoc2 WXVL_AK0309SA0047 [0,0,0,1,1,0|2,0,0]=4 980 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2ccsc2 WXVL_AK0309SA0251 [0,0,0,1,1,0|2,0,0]=4 981 B16R2.15757 CC1CC(C1)NC(=O)/C=C/c2ccsc2 WXVL_AK0309SA0251 [0,0,0,1,1,0|2,0,0]=4 982 B16R2.27727 O=C(/C=C/c1ccco1)NCCC2CC2 WXVL_AK00594SA0180 [0,0,0,1,1,0|2,0,0]=4 983 B16R2.27727 O=C(/C=C/c1ccco1)NCCC2CC2 WXVL_AK00594SA0180 [0,0,0,1,1,0|2,0,0]=4 984 B16R2.27727 O=C(/C=C/c1cccs1)NCCC2CC2 WXVL_AK00594SA0001 [0,0,0,1,1,0|2,0,0]=4 985 B16R2.27727 O=C(/C=C/c1cccs1)NCCC2CC2 WXVL_AK00594SA0001 [0,0,0,1,1,0|2,0,0]=4 986 B16R2.27727 O=C(/C=C/c1ccoc1)NCCC2CC2 WXVL_AK00594SA0047 [0,0,0,1,1,0|2,0,0]=4 987 B16R2.27727 O=C(/C=C/c1ccoc1)NCCC2CC2 WXVL_AK00594SA0047 [0,0,0,1,1,0|2,0,0]=4 988 B16R2.27727 O=C(/C=C/c1ccsc1)NCCC2CC2 WXVL_AK00594SA0251 [0,0,0,1,1,0|2,0,0]=4 989 B16R2.27727 O=C(/C=C/c1ccsc1)NCCC2CC2 WXVL_AK00594SA0251 [0,0,0,1,1,0|2,0,0]=4 990 B16R2.2843 CC1CCN(C1)C(=O)Cc2ccccc2 WXVL_AN0556SB0092 [0,0,0,1,1,0|1,0,1]=4 991 B16R2.2843 CC1CCN(C1)C(=O)Cc2ccccc2 WXVL_AN0556SB0092 [0,0,0,1,1,0|1,0,1]=4 992 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2ccccc2 WXVL_AN00488SB0092 [0,0,0,1,1,0|1,0,1]=4 993 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Cc2ccccc2 WXVL_AN00488SB0092 [0,0,0,1,1,0|1,0,1]=4 994 B16R2.2843 C[C@H]1CCN(C1)C(=O)Cc2ccccc2 WXVL_AN00094SB0092 [0,0,0,1,1,0|1,0,1]=4 995 B16R2.2843 C[C@H]1CCN(C1)C(=O)Cc2ccccc2 WXVL_AN00094SB0092 [0,0,0,1,1,0|1,0,1]=4 996 B16R2.3334 CC1CC(C1)NC(=O)Cc2ccccc2 WXVL_AK0309SB0092 [0,0,0,1,1,0|1,0,1]=4 997 B16R2.3334 CC1CC(C1)NC(=O)Cc2ccccc2 WXVL_AK0309SB0092 [0,0,0,1,1,0|1,0,1]=4 998 B16R2.10947 O=C(Cc1ccccc1)NCCC2CC2 WXVL_AK00594SB0092 [0,0,0,1,1,0|1,0,1]=4 999 B16R2.10947 O=C(Cc1ccccc1)NCCC2CC2 WXVL_AK00594SB0092 [0,0,0,1,1,0|1,0,1]=4 1000 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0291SB0115 [0,0,0,1,1,0|1,0,0]=3 1001 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0291SB0115 [0,0,0,1,1,0|1,0,0]=3 1002 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0291SA0193 [0,0,0,1,1,0|2,0,0]=4 1003 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0291SA0193 [0,0,0,1,1,0|2,0,0]=4 1004 B16R2.3322 O=C(/C=C/c1ccccc1)N2CC(C2)O WXVL_AN0284SB0115 [0,0,0,1,1,0|2,0,0]=4 1005 B16R2.3322 O=C(/C=C/c1ccccc1)N2CC(C2)O WXVL_AN0284SB0115 [0,0,0,1,1,0|2,0,0]=4 1006 B16R2.44147 CC1(CC1C(=O)NCc2ccccc2)C WXVL_AK00502SB0012 [0,0,0,1,1,0|1,0,1]=4 1007 B16R2.44147 CC1(CC1C(=O)NCc2ccccc2)C WXVL_AK00502SB0012 [0,0,0,1,1,0|1,0,1]=4 1008 B18R2.6420 CN1CC(C1)CNC(=O)/C=C/c2ccccc2 WXVL_AK3201SB0115 [0,0,0,1,0,1|2,0,0]=4 1009 B18R2.6420 CN1CC(C1)CNC(=O)/C=C/c2ccccc2 WXVL_AK3201SB0115 [0,0,0,1,0,1|2,0,0]=4 1010 B18R2.6463 CC1CN(CCO1)C(=O)/C=C/c2ccccc2 WXVL_AN0569SB0115 [0,0,0,1,0,1|1,0,0]=3 1011 B18R2.6463 CC1CN(CCO1)C(=O)/C=C/c2cccnc2 WXVL_AN0569SA0193 [0,0,0,1,0,1|2,0,0]=4 1012 B18R2.6463 C[C@@H]1CCCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00782SB0115 [0,0,0,1,0,1|1,0,0]=3 1013 B18R2.6463 C[C@@H]1CCCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00782SA0193 [0,0,0,1,0,1|2,0,0]=4 1014 B18R2.6463 C[C@@H]1CN(CCO1)C(=O)/C=C/c2ccccc2 WXVL_AN00210SB0115 [0,0,0,1,0,1|1,0,0]=3 1015 B18R2.6463 C[C@@H]1CN(CCO1)C(=O)/C=C/c2ccccc2 WXVL_AN00210SB0115 [0,0,0,1,0,1|1,0,0]=3 1016 B18R2.6463 C[C@@H]1CN(CCO1)C(=O)/C=C/c2cccnc2 WXVL_AN00210SA0193 [0,0,0,1,0,1|2,0,0]=4 1017 B18R2.6463 C[C@@H]1CN(CCO1)C(=O)/C=C/c2cccnc2 WXVL_AN00210SA0193 [0,0,0,1,0,1|2,0,0]=4 1018 B18R2.6463 C[C@H]1CN(CCO1)C(=O)/C=C/c2ccccc2 WXVL_AN00212SB0115 [0,0,0,1,0,1|1,0,0]=3 1019 B18R2.6463 C[C@H]1CN(CCO1)C(=O)/C=C/c2ccccc2 WXVL_AN00212SB0115 [0,0,0,1,0,1|1,0,0]=3 1020 B18R2.6463 C[C@H]1CN(CCO1)C(=O)/C=C/c2cccnc2 WXVL_AN00212SA0193 [0,0,0,1,0,1|2,0,0]=4 1021 B18R2.6463 C[C@H]1CN(CCO1)C(=O)/C=C/c2cccnc2 WXVL_AN00212SA0193 [0,0,0,1,0,1|2,0,0]=4 1022 B18R2.6463 O=C(/C=C/c1ccccc1)N2CCCC(C2)Br WXVL_AN00704SB0115 [0,0,0,1,0,1|2,0,0]=4 1023 B18R2.6463 O=C(/C=C/c1ccccc1)N2CCCC(C2)F WXVL_AN2271SB0115 [0,0,0,1,0,1|2,0,0]=4 1024 B18R2.6463 O=C(/C=C/c1ccccc1)N2CCCC(C2)F WXVL_AN2271SB0115 [0,0,0,1,0,1|2,0,0]=4 1025 B18R2.6463 O=C(/C=C/c1ccccc1)N2CCCC(C2)O WXVL_AN0622SB0115 [0,0,0,1,0,1|2,0,0]=4 1026 B18R2.6463 O=C(/C=C/c1ccccc1)N2CCC[C@H](C2)O WXVL_AN00535SB0115 [0,0,0,1,0,1|2,0,0]=4 1027 B18R2.6463 O=C(/C=C/c1ccccc1)N2CCOC(C2)O WXVL_AN00776SB0115 [0,0,0,1,0,1|2,0,0]=4 1028 B18R2.11739 CC1(CCCN1C(=O)/C=C/c2ccccc2)C WXVL_AN0313SB0115 [0,0,0,1,0,1|1,0,0]=3 1029 B18R2.11739 CC1(CCCN1C(=O)/C=C/c2ccccc2)C WXVL_AN0313SB0115 [0,0,0,1,0,1|1,0,0]=3 1030 B18R2.11739 CC1(CCCN1C(=O)/C=C/c2cccnc2)C WXVL_AN0313SA0193 [0,0,0,1,0,1|2,0,0]=4 1031 B18R2.11739 CC1(CCCN1C(=O)/C=C/c2cccnc2)C WXVL_AN0313SA0193 [0,0,0,1,0,1|2,0,0]=4 1032 B18R2.7182 CC(C)CCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK0068SE0048 [0,0,0,1,0,1|2,0,0]=4 1033 B18R2.7182 CC(C)CCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK0068SE0048 [0,0,0,1,0,1|2,0,0]=4 1034 B18R2.7182 CC(C)CCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK0068SE0638 [0,0,0,1,0,1|2,0,0]=4 1035 B18R2.7182 CC(C)CCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK0068SE0638 [0,0,0,1,0,1|2,0,0]=4 1036 B18R2.7182 CC(C)CCNC(=O)c1cnc2n1cccc2 WXVL_AK0068SE0102 [0,0,0,1,0,1|2,0,0]=4 1037 B18R2.7182 CC(C)CCNC(=O)c1cnc2n1cccc2 WXVL_AK0068SE0102 [0,0,0,1,0,1|2,0,0]=4 1038 B18R2.7182 CC(C)CCNC(=O)c1cnn2c1cccc2 WXVL_AK0068SE0033 [0,0,0,1,0,1|2,0,0]=4 1039 B18R2.7182 CC(C)CCNC(=O)c1cnn2c1cccc2 WXVL_AK0068SE0033 [0,0,0,1,0,1|2,0,0]=4 1040 B18R2.7182 CC(C)CCNC(=O)c1coc2c1cccc2 WXVL_AK0068SE0302 [0,0,0,1,0,1|1,0,0]=3 1041 B18R2.7182 CC(C)CCNC(=O)c1coc2c1cccc2 WXVL_AK0068SE0302 [0,0,0,1,0,1|1,0,0]=3 1042 B18R2.7182 CC(C)CCNC(=O)c1csc2c1cccc2 WXVL_AK0068SE0108 [0,0,0,1,0,1|1,0,0]=3 1043 B18R2.7182 CC(C)CCNC(=O)c1csc2c1cccc2 WXVL_AK0068SE0108 [0,0,0,1,0,1|1,0,0]=3 1044 B18R2.7182 CC(C)CCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK0068SE0379 [0,0,0,1,0,1|2,0,0]=4 1045 B18R2.7182 CC(C)CCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK0068SE0379 [0,0,0,1,0,1|2,0,0]=4 1046 B18R2.7182 CC(C)CCNC(=O)c1onc2c1cccc2 WXVL_AK0068SE0896 [0,0,0,1,0,1|2,0,0]=4 1047 B18R2.7182 CC(C)CCNC(=O)c1onc2c1cccc2 WXVL_AK0068SE0896 [0,0,0,1,0,1|2,0,0]=4 1048 B18R2.7182 CN(C)CCNC(=O)c1coc2c1cccc2 WXVL_AK0058SE0302 [0,0,0,1,0,1|2,0,0]=4 1049 B18R2.7182 CN(C)CCNC(=O)c1coc2c1cccc2 WXVL_AK0058SE0302 [0,0,0,1,0,1|2,0,0]=4 1050 B18R2.7182 CN(C)CCNC(=O)c1csc2c1cccc2 WXVL_AK0058SE0108 [0,0,0,1,0,1|2,0,0]=4 1051 B18R2.7182 CN(C)CCNC(=O)c1csc2c1cccc2 WXVL_AK0058SE0108 [0,0,0,1,0,1|2,0,0]=4 1052 B18R2.3702 CC1CCN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN0556YV0027 [0,1,0,1,0,0|2,0,0]=4 1053 B18R2.3702 CC1CCN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN0556YV0027 [0,1,0,1,0,0|2,0,0]=4 1054 B18R2.3702 C[C@@H]1CCN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN00488YV0027 [0,1,0,1,0,0|2,0,0]=4 1055 B18R2.3702 C[C@@H]1CCN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN00488YV0027 [0,1,0,1,0,0|2,0,0]=4 1056 B18R2.3702 C[C@H]1CCN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN00094YV0027 [0,1,0,1,0,0|2,0,0]=4 1057 B18R2.3702 C[C@H]1CCN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN00094YV0027 [0,1,0,1,0,0|2,0,0]=4 1058 B18R2.41504 CC1CC(C1)NC(=O)NC(=O)c2ccccc2 WXVL_AK0309YV0027 [0,1,0,1,0,0|2,0,0]=4 1059 B18R2.41504 CC1CC(C1)NC(=O)NC(=O)c2ccccc2 WXVL_AK0309YV0027 [0,1,0,1,0,0|2,0,0]=4 1060 B18R2.72638 O=C(NCCC1CC1)NC(=O)c2ccccc2 WXVL_AK00594YV0027 [0,1,0,1,0,0|2,0,0]=4 1061 B18R2.72638 O=C(NCCC1CC1)NC(=O)c2ccccc2 WXVL_AK00594YV0027 [0,1,0,1,0,0|2,0,0]=4 1062 B18R2.258 CC1CCN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN0556SB0418 [0,1,0,1,0,0|1,0,0]=3 1063 B18R2.258 CC1CCN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN0556SB0418 [0,1,0,1,0,0|1,0,0]=3 1064 B18R2.258 CC1CCN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN0556SB1122 [0,1,0,1,0,0|1,0,0]=3 1065 B18R2.258 CC1CCN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN0556SB1122 [0,1,0,1,0,0|1,0,0]=3 1066 B18R2.258 CC1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN0556SB0119 [0,1,0,1,0,0|1,0,0]=3 1067 B18R2.258 CC1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN0556SB0119 [0,1,0,1,0,0|1,0,0]=3 1068 B18R2.258 CC1CCN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN0556SB1186 [0,1,0,1,0,0|1,0,0]=3 1069 B18R2.258 CC1CCN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN0556SB1186 [0,1,0,1,0,0|1,0,0]=3 1070 B18R2.258 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN00488SB0418 [0,1,0,1,0,0|1,0,0]=3 1071 B18R2.258 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN00488SB0418 [0,1,0,1,0,0|1,0,0]=3 1072 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN00488SB1122 [0,1,0,1,0,0|1,0,0]=3 1073 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN00488SB1122 [0,1,0,1,0,0|1,0,0]=3 1074 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN00488SB0119 [0,1,0,1,0,0|1,0,0]=3 1075 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN00488SB0119 [0,1,0,1,0,0|1,0,0]=3 1076 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN00488SB1186 [0,1,0,1,0,0|1,0,0]=3 1077 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN00488SB1186 [0,1,0,1,0,0|1,0,0]=3 1078 B18R2.258 C[C@H]1CCN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN00094SB0418 [0,1,0,1,0,0|1,0,0]=3 1079 B18R2.258 C[C@H]1CCN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN00094SB0418 [0,1,0,1,0,0|1,0,0]=3 1080 B18R2.258 C[C@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN00094SB1122 [0,1,0,1,0,0|1,0,0]=3 1081 B18R2.258 C[C@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN00094SB1122 [0,1,0,1,0,0|1,0,0]=3 1082 B18R2.258 C[C@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN00094SB0119 [0,1,0,1,0,0|1,0,0]=3 1083 B18R2.258 C[C@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN00094SB0119 [0,1,0,1,0,0|1,0,0]=3 1084 B18R2.258 C[C@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN00094SB1186 [0,1,0,1,0,0|1,0,0]=3 1085 B18R2.258 C[C@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN00094SB1186 [0,1,0,1,0,0|1,0,0]=3 1086 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)Br WXVL_AN00715SB0060 [0,1,0,1,0,0|2,0,0]=4 1087 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)C WXVL_AN0556SB0060 [0,1,0,1,0,0|1,0,0]=3 1088 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)C WXVL_AN0556SB0060 [0,1,0,1,0,0|1,0,0]=3 1089 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)F WXVL_AN00338SB0060 [0,1,0,1,0,0|2,0,0]=4 1090 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)F WXVL_AN00338SB0060 [0,1,0,1,0,0|2,0,0]=4 1091 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)O WXVL_AN0158SB0060 [0,1,0,1,0,0|2,0,0]=4 1092 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)O WXVL_AN0158SB0060 [0,1,0,1,0,0|2,0,0]=4 1093 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)C WXVL_AN00094SB0060 [0,1,0,1,0,0|1,0,0]=3 1094 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)C WXVL_AN00094SB0060 [0,1,0,1,0,0|1,0,0]=3 1095 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)O WXVL_AN00391SB0060 [0,1,0,1,0,0|2,0,0]=4 1096 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)O WXVL_AN00391SB0060 [0,1,0,1,0,0|2,0,0]=4 1097 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)C WXVL_AN00488SB0060 [0,1,0,1,0,0|1,0,0]=3 1098 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)C WXVL_AN00488SB0060 [0,1,0,1,0,0|1,0,0]=3 1099 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)F WXVL_AN00035SB0060 [0,1,0,1,0,0|2,0,0]=4 1100 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)F WXVL_AN00035SB0060 [0,1,0,1,0,0|2,0,0]=4 1101 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)O WXVL_AN00543SB0060 [0,1,0,1,0,0|2,0,0]=4 1102 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CCC(C2)Br WXVL_AN00715SB0418 [0,1,0,1,0,0|2,0,0]=4 1103 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CCC(C2)F WXVL_AN00338SB0418 [0,1,0,1,0,0|2,0,0]=4 1104 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CCC(C2)F WXVL_AN00338SB0418 [0,1,0,1,0,0|2,0,0]=4 1105 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CCC(C2)O WXVL_AN0158SB0418 [0,1,0,1,0,0|2,0,0]=4 1106 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CCC(C2)O WXVL_AN0158SB0418 [0,1,0,1,0,0|2,0,0]=4 1107 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CC[C@@H](C2)O WXVL_AN00391SB0418 [0,1,0,1,0,0|2,0,0]=4 1108 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CC[C@@H](C2)O WXVL_AN00391SB0418 [0,1,0,1,0,0|2,0,0]=4 1109 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CC[C@H](C2)F WXVL_AN00035SB0418 [0,1,0,1,0,0|2,0,0]=4 1110 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CC[C@H](C2)F WXVL_AN00035SB0418 [0,1,0,1,0,0|2,0,0]=4 1111 B18R2.258 O=C(/C=C/c1ccc(cc1)O)N2CC[C@H](C2)O WXVL_AN00543SB0418 [0,1,0,1,0,0|2,0,0]=4 1112 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CCC(C2)Br WXVL_AN00715SB1122 [0,1,0,1,0,0|2,0,0]=4 1113 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CCC(C2)F WXVL_AN00338SB1122 [0,1,0,1,0,0|2,0,0]=4 1114 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CCC(C2)F WXVL_AN00338SB1122 [0,1,0,1,0,0|2,0,0]=4 1115 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CCC(C2)O WXVL_AN0158SB1122 [0,1,0,1,0,0|2,0,0]=4 1116 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CCC(C2)O WXVL_AN0158SB1122 [0,1,0,1,0,0|2,0,0]=4 1117 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@@H](C2)O WXVL_AN00391SB1122 [0,1,0,1,0,0|2,0,0]=4 1118 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@@H](C2)O WXVL_AN00391SB1122 [0,1,0,1,0,0|2,0,0]=4 1119 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@H](C2)F WXVL_AN00035SB1122 [0,1,0,1,0,0|2,0,0]=4 1120 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@H](C2)F WXVL_AN00035SB1122 [0,1,0,1,0,0|2,0,0]=4 1121 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@H](C2)O WXVL_AN00543SB1122 [0,1,0,1,0,0|2,0,0]=4 1122 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CCC(C2)Br WXVL_AN00715SB0119 [0,1,0,1,0,0|2,0,0]=4 1123 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CCC(C2)F WXVL_AN00338SB0119 [0,1,0,1,0,0|2,0,0]=4 1124 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CCC(C2)F WXVL_AN00338SB0119 [0,1,0,1,0,0|2,0,0]=4 1125 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CCC(C2)O WXVL_AN0158SB0119 [0,1,0,1,0,0|2,0,0]=4 1126 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CCC(C2)O WXVL_AN0158SB0119 [0,1,0,1,0,0|2,0,0]=4 1127 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@@H](C2)O WXVL_AN00391SB0119 [0,1,0,1,0,0|2,0,0]=4 1128 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@@H](C2)O WXVL_AN00391SB0119 [0,1,0,1,0,0|2,0,0]=4 1129 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@H](C2)F WXVL_AN00035SB0119 [0,1,0,1,0,0|2,0,0]=4 1130 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@H](C2)F WXVL_AN00035SB0119 [0,1,0,1,0,0|2,0,0]=4 1131 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@H](C2)O WXVL_AN00543SB0119 [0,1,0,1,0,0|2,0,0]=4 1132 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CCC(C2)Br WXVL_AN00715SB1186 [0,1,0,1,0,0|2,0,0]=4 1133 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CCC(C2)F WXVL_AN00338SB1186 [0,1,0,1,0,0|2,0,0]=4 1134 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CCC(C2)F WXVL_AN00338SB1186 [0,1,0,1,0,0|2,0,0]=4 1135 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CCC(C2)O WXVL_AN0158SB1186 [0,1,0,1,0,0|2,0,0]=4 1136 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CCC(C2)O WXVL_AN0158SB1186 [0,1,0,1,0,0|2,0,0]=4 1137 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@@H](C2)O WXVL_AN00391SB1186 [0,1,0,1,0,0|2,0,0]=4 1138 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@@H](C2)O WXVL_AN00391SB1186 [0,1,0,1,0,0|2,0,0]=4 1139 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@H](C2)F WXVL_AN00035SB1186 [0,1,0,1,0,0|2,0,0]=4 1140 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@H](C2)F WXVL_AN00035SB1186 [0,1,0,1,0,0|2,0,0]=4 1141 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@H](C2)O WXVL_AN00543SB1186 [0,1,0,1,0,0|2,0,0]=4 1142 B18R2.29922 CC1CC(C1)NC(=O)/C=C/c2ccc(cc2)O WXVL_AK0309SB0418 [0,1,0,1,0,0|1,0,0]=3 1143 B18R2.29922 CC1CC(C1)NC(=O)/C=C/c2ccc(cc2)O WXVL_AK0309SB0418 [0,1,0,1,0,0|1,0,0]=3 1144 B18R2.29922 CC1CC(C1)NC(=O)C=Cc2ccc(cc2)Br WXVL_AK0309SB1122 [0,1,0,1,0,0|1,0,0]=3 1145 B18R2.29922 CC1CC(C1)NC(=O)C=Cc2ccc(cc2)Br WXVL_AK0309SB1122 [0,1,0,1,0,0|1,0,0]=3 1146 B18R2.29922 CC1CC(C1)NC(=O)C=Cc2ccc(cc2)Cl WXVL_AK0309SB0119 [0,1,0,1,0,0|1,0,0]=3 1147 B18R2.29922 CC1CC(C1)NC(=O)C=Cc2ccc(cc2)Cl WXVL_AK0309SB0119 [0,1,0,1,0,0|1,0,0]=3 1148 B18R2.29922 CC1CC(C1)NC(=O)C=Cc2ccc(cc2)F WXVL_AK0309SB1186 [0,1,0,1,0,0|1,0,0]=3 1149 B18R2.29922 CC1CC(C1)NC(=O)C=Cc2ccc(cc2)F WXVL_AK0309SB1186 [0,1,0,1,0,0|1,0,0]=3 1150 B18R2.29922 CN1CC(C1)NC(=O)/C=C/c2ccc(cc2)O WXVL_AK1377SB0418 [0,1,0,1,0,0|2,0,0]=4 1151 B18R2.29922 CN1CC(C1)NC(=O)/C=C/c2ccc(cc2)O WXVL_AK1377SB0418 [0,1,0,1,0,0|2,0,0]=4 1152 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)Br WXVL_AK1377SB1122 [0,1,0,1,0,0|2,0,0]=4 1153 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)Br WXVL_AK1377SB1122 [0,1,0,1,0,0|2,0,0]=4 1154 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)Cl WXVL_AK1377SB0119 [0,1,0,1,0,0|2,0,0]=4 1155 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)Cl WXVL_AK1377SB0119 [0,1,0,1,0,0|2,0,0]=4 1156 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)F WXVL_AK1377SB1186 [0,1,0,1,0,0|2,0,0]=4 1157 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)F WXVL_AK1377SB1186 [0,1,0,1,0,0|2,0,0]=4 1158 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)C WXVL_AK0309SB0060 [0,1,0,1,0,0|1,0,0]=3 1159 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)C WXVL_AK0309SB0060 [0,1,0,1,0,0|1,0,0]=3 1160 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)F WXVL_AK0307SB0060 [0,1,0,1,0,0|2,0,0]=4 1161 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)F WXVL_AK0307SB0060 [0,1,0,1,0,0|2,0,0]=4 1162 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)O WXVL_AK0306SB0060 [0,1,0,1,0,0|2,0,0]=4 1163 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)O WXVL_AK0306SB0060 [0,1,0,1,0,0|2,0,0]=4 1164 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CN(C2)C WXVL_AK1377SB0060 [0,1,0,1,0,0|2,0,0]=4 1165 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CN(C2)C WXVL_AK1377SB0060 [0,1,0,1,0,0|2,0,0]=4 1166 B18R2.29922 Cc1ccc(cc1)C=CC(=O)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0060 [0,1,0,1,0,0|2,0,0]=4 1167 B18R2.29922 Cc1ccc(cc1)C=CC(=O)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0060 [0,1,0,1,0,0|2,0,0]=4 1168 B18R2.29922 O=C(/C=C/c1ccc(cc1)O)NC2CC(C2)F WXVL_AK0307SB0418 [0,1,0,1,0,0|2,0,0]=4 1169 B18R2.29922 O=C(/C=C/c1ccc(cc1)O)NC2CC(C2)F WXVL_AK0307SB0418 [0,1,0,1,0,0|2,0,0]=4 1170 B18R2.29922 O=C(/C=C/c1ccc(cc1)O)NC2CC(C2)O WXVL_AK0306SB0418 [0,1,0,1,0,0|2,0,0]=4 1171 B18R2.29922 O=C(/C=C/c1ccc(cc1)O)NC2CC(C2)O WXVL_AK0306SB0418 [0,1,0,1,0,0|2,0,0]=4 1172 B18R2.29922 O=C(/C=C/c1ccc(cc1)O)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0418 [0,1,0,1,0,0|2,0,0]=4 1173 B18R2.29922 O=C(/C=C/c1ccc(cc1)O)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0418 [0,1,0,1,0,0|2,0,0]=4 1174 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)NC2CC(C2)F WXVL_AK0307SB1122 [0,1,0,1,0,0|2,0,0]=4 1175 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)NC2CC(C2)F WXVL_AK0307SB1122 [0,1,0,1,0,0|2,0,0]=4 1176 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)NC2CC(C2)O WXVL_AK0306SB1122 [0,1,0,1,0,0|2,0,0]=4 1177 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)NC2CC(C2)O WXVL_AK0306SB1122 [0,1,0,1,0,0|2,0,0]=4 1178 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)N[C@H]2C[C@H](C2)O WXVL_AK1397SB1122 [0,1,0,1,0,0|2,0,0]=4 1179 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)N[C@H]2C[C@H](C2)O WXVL_AK1397SB1122 [0,1,0,1,0,0|2,0,0]=4 1180 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)F WXVL_AK0307SB0119 [0,1,0,1,0,0|2,0,0]=4 1181 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)F WXVL_AK0307SB0119 [0,1,0,1,0,0|2,0,0]=4 1182 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)O WXVL_AK0306SB0119 [0,1,0,1,0,0|2,0,0]=4 1183 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)O WXVL_AK0306SB0119 [0,1,0,1,0,0|2,0,0]=4 1184 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0119 [0,1,0,1,0,0|2,0,0]=4 1185 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0119 [0,1,0,1,0,0|2,0,0]=4 1186 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)F WXVL_AK0307SB1186 [0,1,0,1,0,0|2,0,0]=4 1187 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)F WXVL_AK0307SB1186 [0,1,0,1,0,0|2,0,0]=4 1188 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)O WXVL_AK0306SB1186 [0,1,0,1,0,0|2,0,0]=4 1189 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)O WXVL_AK0306SB1186 [0,1,0,1,0,0|2,0,0]=4 1190 B18R2.29922 O=C(C=Cc1ccc(cc1)F)N[C@H]2C[C@H](C2)O WXVL_AK1397SB1186 [0,1,0,1,0,0|2,0,0]=4 1191 B18R2.29922 O=C(C=Cc1ccc(cc1)F)N[C@H]2C[C@H](C2)O WXVL_AK1397SB1186 [0,1,0,1,0,0|2,0,0]=4 1192 B18R2.93538 Cc1ccc(cc1)C=CC(=O)NCCC2CC2 WXVL_AK00594SB0060 [0,1,0,1,0,0|1,0,0]=3 1193 B18R2.93538 Cc1ccc(cc1)C=CC(=O)NCCC2CC2 WXVL_AK00594SB0060 [0,1,0,1,0,0|1,0,0]=3 1194 B18R2.93538 O=C(/C=C/c1ccc(cc1)O)NCCC2CC2 WXVL_AK00594SB0418 [0,1,0,1,0,0|1,0,0]=3 1195 B18R2.93538 O=C(/C=C/c1ccc(cc1)O)NCCC2CC2 WXVL_AK00594SB0418 [0,1,0,1,0,0|1,0,0]=3 1196 B18R2.93538 O=C(C=Cc1ccc(cc1)Br)NCCC2CC2 WXVL_AK00594SB1122 [0,1,0,1,0,0|1,0,0]=3 1197 B18R2.93538 O=C(C=Cc1ccc(cc1)Br)NCCC2CC2 WXVL_AK00594SB1122 [0,1,0,1,0,0|1,0,0]=3 1198 B18R2.93538 O=C(C=Cc1ccc(cc1)Cl)NCCC2CC2 WXVL_AK00594SB0119 [0,1,0,1,0,0|1,0,0]=3 1199 B18R2.93538 O=C(C=Cc1ccc(cc1)Cl)NCCC2CC2 WXVL_AK00594SB0119 [0,1,0,1,0,0|1,0,0]=3 1200 B18R2.93538 O=C(C=Cc1ccc(cc1)F)NCCC2CC2 WXVL_AK00594SB1186 [0,1,0,1,0,0|1,0,0]=3 1201 B18R2.93538 O=C(C=Cc1ccc(cc1)F)NCCC2CC2 WXVL_AK00594SB1186 [0,1,0,1,0,0|1,0,0]=3 1202 B18R2.253 CC1CCN(CC1)C(=O)/C=C/c2ccccc2 WXVL_AN0025SB0115 [0,1,0,1,0,0|1,0,0]=3 1203 B18R2.253 CC1CCN(CC1)C(=O)/C=C/c2ccccc2 WXVL_AN0025SB0115 [0,1,0,1,0,0|1,0,0]=3 1204 B18R2.253 CC1CCN(CC1)C(=O)/C=C/c2cccnc2 WXVL_AN0025SA0193 [0,1,0,1,0,0|2,0,0]=4 1205 B18R2.253 CC1CCN(CC1)C(=O)/C=C/c2cccnc2 WXVL_AN0025SA0193 [0,1,0,1,0,0|2,0,0]=4 1206 B18R2.253 CN1CCN(CC1)C(=O)/C=C/c2ccccc2 WXVL_AN00865SB0115 [0,1,0,1,0,0|2,0,0]=4 1207 B18R2.253 O=C(/C=C/c1ccccc1)N2CCC(CC2)Br WXVL_AN00579SB0115 [0,1,0,1,0,0|2,0,0]=4 1208 B18R2.253 O=C(/C=C/c1ccccc1)N2CCC(CC2)F WXVL_AN0279SB0115 [0,1,0,1,0,0|2,0,0]=4 1209 B18R2.253 O=C(/C=C/c1ccccc1)N2CCC(CC2)O WXVL_AN0023SB0115 [0,1,0,1,0,0|2,0,0]=4 1210 B18R2.253 O=C(/C=C/c1ccccc1)N2CCC(CC2)O WXVL_AN0023SB0115 [0,1,0,1,0,0|2,0,0]=4 1211 B18R2.2744 COC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0570SB0115 [0,1,0,1,0,0|1,0,0]=3 1212 B18R2.2744 COC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0570SA0193 [0,1,0,1,0,0|2,0,0]=4 1213 B18R2.2744 N#CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00663SB0115 [0,1,0,1,0,0|1,0,1]=4 1214 B18R2.2744 O=C(/C=C/c1ccccc1)N2CCC(C2)CO WXVL_AN2273SB0115 [0,1,0,1,0,0|1,0,0]=3 1215 B18R2.2744 O=C(/C=C/c1ccccc1)N2CCC(C2)CO WXVL_AN2273SB0115 [0,1,0,1,0,0|1,0,0]=3 1216 B18R2.2744 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)CO WXVL_AN00661SB0115 [0,1,0,1,0,0|1,0,0]=3 1217 B18R2.2744 O=C(/C=C/c1cccnc1)N2CCC(C2)CO WXVL_AN2273SA0193 [0,1,0,1,0,0|2,0,0]=4 1218 B18R2.2744 O=C(/C=C/c1cccnc1)N2CCC(C2)CO WXVL_AN2273SA0193 [0,1,0,1,0,0|2,0,0]=4 1219 B18R2.2744 O=C(/C=C/c1cccnc1)N2CC[C@@H](C2)CO WXVL_AN00661SA0193 [0,1,0,1,0,0|2,0,0]=4 1220 B18R2.72675 O=C(/C=C/c1ccccc1)NCCC2CCC2 WXVL_AK2418SB0115 [0,1,0,1,0,0|1,0,0]=3 1221 B18R2.72675 O=C(/C=C/c1ccccc1)NCCC2CCC2 WXVL_AK2418SB0115 [0,1,0,1,0,0|1,0,0]=3 1222 B18R2.72675 O=C(/C=C/c1cccnc1)NCCC2CCC2 WXVL_AK2418SA0193 [0,1,0,1,0,0|2,0,0]=4 1223 B18R2.72675 O=C(/C=C/c1cccnc1)NCCC2CCC2 WXVL_AK2418SA0193 [0,1,0,1,0,0|2,0,0]=4 1224 B18R2.2298562 CC1(CCN(C1)C(=O)/C=C/c2ccccc2)C WXVL_AN00729SB0115 [0,1,0,1,0,0|1,0,0]=3 1225 B18R2.2298562 CC1(CCN(C1)C(=O)/C=C/c2ccccc2)O WXVL_AN00096SB0115 [0,1,0,1,0,0|1,0,0]=3 1226 B18R2.2298562 CC1(CCN(C1)C(=O)/C=C/c2ccccc2)O WXVL_AN00096SB0115 [0,1,0,1,0,0|1,0,0]=3 1227 B18R2.2298562 CC1(CCN(C1)C(=O)/C=C/c2cccnc2)C WXVL_AN00729SA0193 [0,1,0,1,0,0|2,0,0]=4 1228 B18R2.2298562 CC1(CCN(C1)C(=O)/C=C/c2cccnc2)O WXVL_AN00096SA0193 [0,1,0,1,0,0|2,0,0]=4 1229 B18R2.2298562 CC1(CCN(C1)C(=O)/C=C/c2cccnc2)O WXVL_AN00096SA0193 [0,1,0,1,0,0|2,0,0]=4 1230 B18R2.2298562 O=C(/C=C/c1ccccc1)N2CCC(C2)(F)F WXVL_AN00337SB0115 [0,1,0,1,0,0|2,0,0]=4 1231 B18R2.2298562 O=C(/C=C/c1ccccc1)N2CCC(C2)(F)F WXVL_AN00337SB0115 [0,1,0,1,0,0|2,0,0]=4 1232 B18R2.29839 CC1CCN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN0556SB3065 [0,1,0,1,0,0|1,0,0]=3 1233 B18R2.29839 CC1CCN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN0556SB3065 [0,1,0,1,0,0|1,0,0]=3 1234 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN00488SB3065 [0,1,0,1,0,0|1,0,0]=3 1235 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN00488SB3065 [0,1,0,1,0,0|1,0,0]=3 1236 B18R2.29839 C[C@H]1CCN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN00094SB3065 [0,1,0,1,0,0|1,0,0]=3 1237 B18R2.29839 C[C@H]1CCN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN00094SB3065 [0,1,0,1,0,0|1,0,0]=3 1238 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CCC(C2)Br WXVL_AN00715SB3065 [0,1,0,1,0,0|2,0,0]=4 1239 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CCC(C2)F WXVL_AN00338SB3065 [0,1,0,1,0,0|2,0,0]=4 1240 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CCC(C2)F WXVL_AN00338SB3065 [0,1,0,1,0,0|2,0,0]=4 1241 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CCC(C2)O WXVL_AN0158SB3065 [0,1,0,1,0,0|2,0,0]=4 1242 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CCC(C2)O WXVL_AN0158SB3065 [0,1,0,1,0,0|2,0,0]=4 1243 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@@H](C2)O WXVL_AN00391SB3065 [0,1,0,1,0,0|2,0,0]=4 1244 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@@H](C2)O WXVL_AN00391SB3065 [0,1,0,1,0,0|2,0,0]=4 1245 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@H](C2)F WXVL_AN00035SB3065 [0,1,0,1,0,0|2,0,0]=4 1246 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@H](C2)F WXVL_AN00035SB3065 [0,1,0,1,0,0|2,0,0]=4 1247 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@H](C2)O WXVL_AN00543SB3065 [0,1,0,1,0,0|2,0,0]=4 1248 B18R2.39587 CC1CC(C1)NC(=O)C=Cc2ccccc2Br WXVL_AK0309SB3065 [0,1,0,1,0,0|1,0,0]=3 1249 B18R2.39587 CC1CC(C1)NC(=O)C=Cc2ccccc2Br WXVL_AK0309SB3065 [0,1,0,1,0,0|1,0,0]=3 1250 B18R2.39587 CN1CC(C1)NC(=O)C=Cc2ccccc2Br WXVL_AK1377SB3065 [0,1,0,1,0,0|2,0,0]=4 1251 B18R2.39587 CN1CC(C1)NC(=O)C=Cc2ccccc2Br WXVL_AK1377SB3065 [0,1,0,1,0,0|2,0,0]=4 1252 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)F WXVL_AK0307SB3065 [0,1,0,1,0,0|2,0,0]=4 1253 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)F WXVL_AK0307SB3065 [0,1,0,1,0,0|2,0,0]=4 1254 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)O WXVL_AK0306SB3065 [0,1,0,1,0,0|2,0,0]=4 1255 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)O WXVL_AK0306SB3065 [0,1,0,1,0,0|2,0,0]=4 1256 B18R2.39587 O=C(C=Cc1ccccc1Br)N[C@H]2C[C@H](C2)O WXVL_AK1397SB3065 [0,1,0,1,0,0|2,0,0]=4 1257 B18R2.39587 O=C(C=Cc1ccccc1Br)N[C@H]2C[C@H](C2)O WXVL_AK1397SB3065 [0,1,0,1,0,0|2,0,0]=4 1258 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0068SE0001 [0,1,0,1,0,0|1,0,0]=3 1259 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0068SE0001 [0,1,0,1,0,0|1,0,0]=3 1260 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2o1 WXVL_AK0068SE0105 [0,1,0,1,0,0|1,0,0]=3 1261 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2o1 WXVL_AK0068SE0105 [0,1,0,1,0,0|1,0,0]=3 1262 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2s1 WXVL_AK0068SE0107 [0,1,0,1,0,0|1,0,0]=3 1263 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccc2s1 WXVL_AK0068SE0107 [0,1,0,1,0,0|1,0,0]=3 1264 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccn2n1 WXVL_AK0068SE0030 [0,1,0,1,0,0|2,0,0]=4 1265 B18R2.71602 CC(C)CCNC(=O)c1cc2ccccn2n1 WXVL_AK0068SE0030 [0,1,0,1,0,0|2,0,0]=4 1266 B18R2.71602 CC(C)CCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK0068SE0450 [0,1,0,1,0,0|2,0,0]=4 1267 B18R2.71602 CC(C)CCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK0068SE0450 [0,1,0,1,0,0|2,0,0]=4 1268 B18R2.71602 CC(C)CCNC(=O)c1cc2cccnc2s1 WXVL_AK0068SE0061 [0,1,0,1,0,0|2,0,0]=4 1269 B18R2.71602 CC(C)CCNC(=O)c1cc2cccnc2s1 WXVL_AK0068SE0061 [0,1,0,1,0,0|2,0,0]=4 1270 B18R2.71602 CC(C)CCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK0068SE0511 [0,1,0,1,0,0|2,0,0]=4 1271 B18R2.71602 CC(C)CCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK0068SE0511 [0,1,0,1,0,0|2,0,0]=4 1272 B18R2.71602 CC(C)CCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK0068SE0680 [0,1,0,1,0,0|2,0,0]=4 1273 B18R2.71602 CC(C)CCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK0068SE0680 [0,1,0,1,0,0|2,0,0]=4 1274 B18R2.71602 CC(C)CCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK0068SE0026 [0,1,0,1,0,0|2,0,0]=4 1275 B18R2.71602 CC(C)CCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK0068SE0026 [0,1,0,1,0,0|2,0,0]=4 1276 B18R2.71602 CC(C)CCNC(=O)c1nc2ccccc2o1 WXVL_AK0068SE0704 [0,1,0,1,0,0|2,0,0]=4 1277 B18R2.71602 CC(C)CCNC(=O)c1nc2ccccc2o1 WXVL_AK0068SE0704 [0,1,0,1,0,0|2,0,0]=4 1278 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0058SE0001 [0,1,0,1,0,0|2,0,0]=4 1279 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0058SE0001 [0,1,0,1,0,0|2,0,0]=4 1280 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2o1 WXVL_AK0058SE0105 [0,1,0,1,0,0|2,0,0]=4 1281 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2o1 WXVL_AK0058SE0105 [0,1,0,1,0,0|2,0,0]=4 1282 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2s1 WXVL_AK0058SE0107 [0,1,0,1,0,0|2,0,0]=4 1283 B18R2.71602 CN(C)CCNC(=O)c1cc2ccccc2s1 WXVL_AK0058SE0107 [0,1,0,1,0,0|2,0,0]=4 1284 B18R2.334922 O=C(C=Cc1ccccc1Br)NCCC2CC2 WXVL_AK00594SB3065 [0,1,0,1,0,0|1,0,0]=3 1285 B18R2.334922 O=C(C=Cc1ccccc1Br)NCCC2CC2 WXVL_AK00594SB3065 [0,1,0,1,0,0|1,0,0]=3 1286 B18R2.3715 C/C(=C\c1cccnc1)/C(=O)N2CCC(C2)C WXVL_AN0556SA1933 [0,1,0,1,0,0|2,0,0]=4 1287 B18R2.3715 C/C(=C\c1cccnc1)/C(=O)N2CCC(C2)C WXVL_AN0556SA1933 [0,1,0,1,0,0|2,0,0]=4 1288 B18R2.3715 C/C(=C\c1cccnc1)/C(=O)N2CC[C@@H](C2)C WXVL_AN00094SA1933 [0,1,0,1,0,0|2,0,0]=4 1289 B18R2.3715 C/C(=C\c1cccnc1)/C(=O)N2CC[C@@H](C2)C WXVL_AN00094SA1933 [0,1,0,1,0,0|2,0,0]=4 1290 B18R2.3715 C/C(=C\c1cccnc1)/C(=O)N2CC[C@H](C2)C WXVL_AN00488SA1933 [0,1,0,1,0,0|2,0,0]=4 1291 B18R2.3715 C/C(=C\c1cccnc1)/C(=O)N2CC[C@H](C2)C WXVL_AN00488SA1933 [0,1,0,1,0,0|2,0,0]=4 1292 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CCC(C2)C WXVL_AN0556SB0413 [0,1,0,1,0,0|1,0,1]=4 1293 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CCC(C2)C WXVL_AN0556SB0413 [0,1,0,1,0,0|1,0,1]=4 1294 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CC[C@@H](C2)C WXVL_AN00094SB0413 [0,1,0,1,0,0|1,0,1]=4 1295 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CC[C@@H](C2)C WXVL_AN00094SB0413 [0,1,0,1,0,0|1,0,1]=4 1296 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CC[C@H](C2)C WXVL_AN00488SB0413 [0,1,0,1,0,0|1,0,1]=4 1297 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CC[C@H](C2)C WXVL_AN00488SB0413 [0,1,0,1,0,0|1,0,1]=4 1298 B18R2.6415 C/C(=C\c1cccnc1)/C(=O)NC2CC(C2)C WXVL_AK0309SA1933 [0,1,0,1,0,0|2,0,0]=4 1299 B18R2.6415 C/C(=C\c1cccnc1)/C(=O)NC2CC(C2)C WXVL_AK0309SA1933 [0,1,0,1,0,0|2,0,0]=4 1300 B18R2.6415 C=C(Cc1ccccc1)C(=O)NC2CC(C2)C WXVL_AK0309SB0413 [0,1,0,1,0,0|1,0,1]=4 1301 B18R2.6415 C=C(Cc1ccccc1)C(=O)NC2CC(C2)C WXVL_AK0309SB0413 [0,1,0,1,0,0|1,0,1]=4 1302 B18R2.72632 C/C(=C\c1cccnc1)/C(=O)NCCC2CC2 WXVL_AK00594SA1933 [0,1,0,1,0,0|2,0,0]=4 1303 B18R2.72632 C/C(=C\c1cccnc1)/C(=O)NCCC2CC2 WXVL_AK00594SA1933 [0,1,0,1,0,0|2,0,0]=4 1304 B18R2.72632 C=C(Cc1ccccc1)C(=O)NCCC2CC2 WXVL_AK00594SB0413 [0,1,0,1,0,0|1,0,1]=4 1305 B18R2.72632 C=C(Cc1ccccc1)C(=O)NCCC2CC2 WXVL_AK00594SB0413 [0,1,0,1,0,0|1,0,1]=4 1306 B18R2.6468 CC1CCN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN0556SB1601 [0,1,0,1,0,0|1,0,0]=3 1307 B18R2.6468 CC1CCN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN0556SB1601 [0,1,0,1,0,0|1,0,0]=3 1308 B18R2.6468 CC1CCN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN0556SB0417 [0,1,0,1,0,0|1,0,0]=3 1309 B18R2.6468 CC1CCN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN0556SB0417 [0,1,0,1,0,0|1,0,0]=3 1310 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN00488SB1601 [0,1,0,1,0,0|1,0,0]=3 1311 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN00488SB1601 [0,1,0,1,0,0|1,0,0]=3 1312 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN00488SB0417 [0,1,0,1,0,0|1,0,0]=3 1313 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN00488SB0417 [0,1,0,1,0,0|1,0,0]=3 1314 B18R2.6468 C[C@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN00094SB1601 [0,1,0,1,0,0|1,0,0]=3 1315 B18R2.6468 C[C@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN00094SB1601 [0,1,0,1,0,0|1,0,0]=3 1316 B18R2.6468 C[C@H]1CCN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN00094SB0417 [0,1,0,1,0,0|1,0,0]=3 1317 B18R2.6468 C[C@H]1CCN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN00094SB0417 [0,1,0,1,0,0|1,0,0]=3 1318 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CCC(C2)Br WXVL_AN00715SB1601 [0,1,0,1,0,0|2,0,0]=4 1319 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CCC(C2)F WXVL_AN00338SB1601 [0,1,0,1,0,0|2,0,0]=4 1320 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CCC(C2)F WXVL_AN00338SB1601 [0,1,0,1,0,0|2,0,0]=4 1321 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CCC(C2)O WXVL_AN0158SB1601 [0,1,0,1,0,0|2,0,0]=4 1322 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CCC(C2)O WXVL_AN0158SB1601 [0,1,0,1,0,0|2,0,0]=4 1323 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@@H](C2)O WXVL_AN00391SB1601 [0,1,0,1,0,0|2,0,0]=4 1324 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@@H](C2)O WXVL_AN00391SB1601 [0,1,0,1,0,0|2,0,0]=4 1325 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@H](C2)F WXVL_AN00035SB1601 [0,1,0,1,0,0|2,0,0]=4 1326 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@H](C2)F WXVL_AN00035SB1601 [0,1,0,1,0,0|2,0,0]=4 1327 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@H](C2)O WXVL_AN00543SB1601 [0,1,0,1,0,0|2,0,0]=4 1328 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CCC(C2)Br WXVL_AN00715SB0417 [0,1,0,1,0,0|2,0,0]=4 1329 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CCC(C2)F WXVL_AN00338SB0417 [0,1,0,1,0,0|2,0,0]=4 1330 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CCC(C2)F WXVL_AN00338SB0417 [0,1,0,1,0,0|2,0,0]=4 1331 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CCC(C2)O WXVL_AN0158SB0417 [0,1,0,1,0,0|2,0,0]=4 1332 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CCC(C2)O WXVL_AN0158SB0417 [0,1,0,1,0,0|2,0,0]=4 1333 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CC[C@@H](C2)O WXVL_AN00391SB0417 [0,1,0,1,0,0|2,0,0]=4 1334 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CC[C@@H](C2)O WXVL_AN00391SB0417 [0,1,0,1,0,0|2,0,0]=4 1335 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CC[C@H](C2)F WXVL_AN00035SB0417 [0,1,0,1,0,0|2,0,0]=4 1336 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CC[C@H](C2)F WXVL_AN00035SB0417 [0,1,0,1,0,0|2,0,0]=4 1337 B18R2.6468 O=C(C=Cc1cccc(c1)O)N2CC[C@H](C2)O WXVL_AN00543SB0417 [0,1,0,1,0,0|2,0,0]=4 1338 B18R2.31156 CC1CC(C1)NC(=O)C=Cc2cccc(c2)Cl WXVL_AK0309SB1601 [0,1,0,1,0,0|1,0,0]=3 1339 B18R2.31156 CC1CC(C1)NC(=O)C=Cc2cccc(c2)Cl WXVL_AK0309SB1601 [0,1,0,1,0,0|1,0,0]=3 1340 B18R2.31156 CC1CC(C1)NC(=O)C=Cc2cccc(c2)O WXVL_AK0309SB0417 [0,1,0,1,0,0|1,0,0]=3 1341 B18R2.31156 CC1CC(C1)NC(=O)C=Cc2cccc(c2)O WXVL_AK0309SB0417 [0,1,0,1,0,0|1,0,0]=3 1342 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)Cl WXVL_AK1377SB1601 [0,1,0,1,0,0|2,0,0]=4 1343 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)Cl WXVL_AK1377SB1601 [0,1,0,1,0,0|2,0,0]=4 1344 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)O WXVL_AK1377SB0417 [0,1,0,1,0,0|2,0,0]=4 1345 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)O WXVL_AK1377SB0417 [0,1,0,1,0,0|2,0,0]=4 1346 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)F WXVL_AK0307SB1601 [0,1,0,1,0,0|2,0,0]=4 1347 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)F WXVL_AK0307SB1601 [0,1,0,1,0,0|2,0,0]=4 1348 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)O WXVL_AK0306SB1601 [0,1,0,1,0,0|2,0,0]=4 1349 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)O WXVL_AK0306SB1601 [0,1,0,1,0,0|2,0,0]=4 1350 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)N[C@H]2C[C@H](C2)O WXVL_AK1397SB1601 [0,1,0,1,0,0|2,0,0]=4 1351 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)N[C@H]2C[C@H](C2)O WXVL_AK1397SB1601 [0,1,0,1,0,0|2,0,0]=4 1352 B18R2.31156 O=C(C=Cc1cccc(c1)O)NC2CC(C2)F WXVL_AK0307SB0417 [0,1,0,1,0,0|2,0,0]=4 1353 B18R2.31156 O=C(C=Cc1cccc(c1)O)NC2CC(C2)F WXVL_AK0307SB0417 [0,1,0,1,0,0|2,0,0]=4 1354 B18R2.31156 O=C(C=Cc1cccc(c1)O)NC2CC(C2)O WXVL_AK0306SB0417 [0,1,0,1,0,0|2,0,0]=4 1355 B18R2.31156 O=C(C=Cc1cccc(c1)O)NC2CC(C2)O WXVL_AK0306SB0417 [0,1,0,1,0,0|2,0,0]=4 1356 B18R2.31156 O=C(C=Cc1cccc(c1)O)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0417 [0,1,0,1,0,0|2,0,0]=4 1357 B18R2.31156 O=C(C=Cc1cccc(c1)O)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0417 [0,1,0,1,0,0|2,0,0]=4 1358 B18R2.523537 O=C(C=Cc1cccc(c1)Cl)NCCC2CC2 WXVL_AK00594SB1601 [0,1,0,1,0,0|1,0,0]=3 1359 B18R2.523537 O=C(C=Cc1cccc(c1)Cl)NCCC2CC2 WXVL_AK00594SB1601 [0,1,0,1,0,0|1,0,0]=3 1360 B18R2.523537 O=C(C=Cc1cccc(c1)O)NCCC2CC2 WXVL_AK00594SB0417 [0,1,0,1,0,0|1,0,0]=3 1361 B18R2.523537 O=C(C=Cc1cccc(c1)O)NCCC2CC2 WXVL_AK00594SB0417 [0,1,0,1,0,0|1,0,0]=3 1362 B18R2.29730 CC1CCN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN0556HU0026 [0,1,0,1,0,0|2,0,0]=4 1363 B18R2.29730 CC1CCN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN0556HU0026 [0,1,0,1,0,0|2,0,0]=4 1364 B18R2.29730 C[C@@H]1CCN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN00488HU0026 [0,1,0,1,0,0|2,0,0]=4 1365 B18R2.29730 C[C@@H]1CCN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN00488HU0026 [0,1,0,1,0,0|2,0,0]=4 1366 B18R2.29730 C[C@H]1CCN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN00094HU0026 [0,1,0,1,0,0|2,0,0]=4 1367 B18R2.29730 C[C@H]1CCN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN00094HU0026 [0,1,0,1,0,0|2,0,0]=4 1368 B18R2.65088 CC1CC(C1)NS(=O)(=O)/C=C/c2ccccc2 WXVL_AK0309HU0026 [0,1,0,1,0,0|2,0,0]=4 1369 B18R2.65088 CC1CC(C1)NS(=O)(=O)/C=C/c2ccccc2 WXVL_AK0309HU0026 [0,1,0,1,0,0|2,0,0]=4 1370 B18R2.280298 O=S(=O)(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594HU0026 [0,1,0,1,0,0|2,0,0]=4 1371 B18R2.280298 O=S(=O)(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594HU0026 [0,1,0,1,0,0|2,0,0]=4 1372 B18R2.58789 C[C@H]1C[C@H](CN1C(=O)/C=C/c2ccccc2)O WXVL_AN00544SB0115 [0,1,0,1,0,0|2,0,0]=4 1373 B18R2.128578 O=C(/C=C/c1ccccc1)NC2CC(C2)(F)F WXVL_AK00100SB0115 [0,1,0,1,0,0|2,0,0]=4 1374 B18R2.128578 O=C(/C=C/c1ccccc1)NC2CC(C2)(F)F WXVL_AK00100SB0115 [0,1,0,1,0,0|2,0,0]=4 1375 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)/C=C/c2ccccc2 WXVL_AN00697SB0115 [0,1,0,1,0,0|1,0,0]=3 1376 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)/C=C/c2cccnc2 WXVL_AN00697SA0193 [0,1,0,1,0,0|2,0,0]=4 1377 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@@H]([C@@H](C2)F)F WXVL_AN00321SB0115 [0,1,0,1,0,0|2,0,0]=4 1378 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@@H]([C@@H](C2)F)F WXVL_AN00321SB0115 [0,1,0,1,0,0|2,0,0]=4 1379 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@@H]([C@@H](C2)O)F WXVL_AN00676SB0115 [0,1,0,1,0,0|2,0,0]=4 1380 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@@H]([C@@H](C2)O)O WXVL_AN00637SB0115 [0,1,0,1,0,0|2,0,0]=4 1381 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@@H]([C@H](C2)F)O WXVL_AN00685SB0115 [0,1,0,1,0,0|2,0,0]=4 1382 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@H]([C@@H](C2)F)F WXVL_AN00359SB0115 [0,1,0,1,0,0|2,0,0]=4 1383 B18R2.3787 O=C(/C=C/c1ccccc1)N2C[C@H]([C@@H](C2)F)F WXVL_AN00359SB0115 [0,1,0,1,0,0|2,0,0]=4 1384 B18R3.183301 O=C(/C=C/c1ccccc1)N2CC3CC3C2 WXVL_AN00158SB0115 [0,0,0,2,0,0|1,0,0]=3 1385 B18R3.183301 O=C(/C=C/c1ccccc1)N2CC3CC3C2 WXVL_AN00158SB0115 [0,0,0,2,0,0|1,0,0]=3 1386 B18R3.183301 O=C(/C=C/c1cccnc1)N2CC3CC3C2 WXVL_AN00158SA0193 [0,0,0,2,0,0|2,0,0]=4 1387 B18R3.183301 O=C(/C=C/c1cccnc1)N2CC3CC3C2 WXVL_AN00158SA0193 [0,0,0,2,0,0|2,0,0]=4 1388 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [1,0,0,0,1,0|2,0,0]=4 1389 B14R1.86 CCCCNC(=O)/C=C/c1ccco1 WXVL_AK00588SA0180 [1,0,0,0,1,0|2,0,0]=4 1390 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [1,0,0,0,1,0|2,0,0]=4 1391 B14R1.86 CCCCNC(=O)/C=C/c1cccs1 WXVL_AK00588SA0001 [1,0,0,0,1,0|2,0,0]=4 1392 B14R1.86 CCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00588SA0047 [1,0,0,0,1,0|2,0,0]=4 1393 B14R1.86 CCCCNC(=O)/C=C/c1ccoc1 WXVL_AK00588SA0047 [1,0,0,0,1,0|2,0,0]=4 1394 B14R1.86 CCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00588SA0251 [1,0,0,0,1,0|2,0,0]=4 1395 B14R1.86 CCCCNC(=O)/C=C/c1ccsc1 WXVL_AK00588SA0251 [1,0,0,0,1,0|2,0,0]=4 1396 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [1,0,0,0,1,0|1,0,1]=4 1397 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [1,0,0,0,1,0|1,0,1]=4 1398 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00544SA0180 [0,0,0,0,2,0|2,0,0]=4 1399 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00544SA0180 [0,0,0,0,2,0|2,0,0]=4 1400 B14R1.4526 CC(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00544SA0001 [0,0,0,0,2,0|2,0,0]=4 1401 B14R1.4526 CC(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00544SA0001 [0,0,0,0,2,0|2,0,0]=4 1402 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00544SA0047 [0,0,0,0,2,0|2,0,0]=4 1403 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00544SA0047 [0,0,0,0,2,0|2,0,0]=4 1404 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00544SA0251 [0,0,0,0,2,0|2,0,0]=4 1405 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00544SA0251 [0,0,0,0,2,0|2,0,0]=4 1406 B14R1.420 CC(C)CCNC(=O)c1ccccc1 WXVL_AK0068SD0001 [0,0,0,0,2,0|1,0,0]=3 1407 B14R1.420 CC(C)CCNC(=O)c1ccccc1 WXVL_AK0068SD0001 [0,0,0,0,2,0|1,0,0]=3 1408 B14R1.420 CC(C)CCNC(=O)c1ccccn1 WXVL_AK0068SC0058 [0,0,0,0,2,0|2,0,0]=4 1409 B14R1.420 CC(C)CCNC(=O)c1ccccn1 WXVL_AK0068SC0058 [0,0,0,0,2,0|2,0,0]=4 1410 B14R1.420 CC(C)CCNC(=O)c1cccnc1 WXVL_AK0068SC0061 [0,0,0,0,2,0|2,0,0]=4 1411 B14R1.420 CC(C)CCNC(=O)c1cccnc1 WXVL_AK0068SC0061 [0,0,0,0,2,0|2,0,0]=4 1412 B14R1.420 CC(C)CCNC(=O)c1ccncc1 WXVL_AK0068SC0062 [0,0,0,0,2,0|2,0,0]=4 1413 B14R1.420 CC(C)CCNC(=O)c1ccncc1 WXVL_AK0068SC0062 [0,0,0,0,2,0|2,0,0]=4 1414 B14R1.420 CN(C)CCNC(=O)c1ccccc1 WXVL_AK0058SD0001 [0,0,0,0,2,0|2,0,0]=4 1415 B14R1.420 CN(C)CCNC(=O)c1ccccc1 WXVL_AK0058SD0001 [0,0,0,0,2,0|2,0,0]=4 1416 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,0,0,0,2,0|1,0,0]=3 1417 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,0,0,0,2,0|1,0,0]=3 1418 B14R1.423 CC(C)CCC(=O)Nc1ccccn1 WXVL_AF00298SB0354 [0,0,0,0,2,0|2,0,0]=4 1419 B14R1.423 CC(C)CCC(=O)Nc1ccccn1 WXVL_AF00298SB0354 [0,0,0,0,2,0|2,0,0]=4 1420 B14R1.423 CC(C)CNC(=O)Cc1ccccc1 WXVL_AK00544SB0092 [0,0,0,0,2,0|1,0,1]=4 1421 B14R1.423 CC(C)CNC(=O)Cc1ccccc1 WXVL_AK00544SB0092 [0,0,0,0,2,0|1,0,1]=4 1422 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 WXVL_AG00183SB0213 [0,0,0,0,2,0|2,0,0]=4 1423 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 WXVL_AG00183SB0213 [0,0,0,0,2,0|2,0,0]=4 1424 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB00052 [0,0,0,0,2,0|2,0,0]=4 1425 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB00052 [0,0,0,0,2,0|2,0,0]=4 1426 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [0,0,0,0,2,0|1,0,1]=4 1427 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [0,0,0,0,2,0|1,0,1]=4 1428 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,0,0,0,2,0|1,0,0]=3 1429 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,0,0,0,2,0|1,0,0]=3 1430 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,0,0,0,2,0|2,0,0]=4 1431 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,0,0,0,2,0|2,0,0]=4 1432 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1ccco1 WXVL_AK0128SA0180 [0,0,0,0,1,1|2,0,0]=4 1433 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1ccco1 WXVL_AK0128SA0180 [0,0,0,0,1,1|2,0,0]=4 1434 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1cccs1 WXVL_AK0128SA0001 [0,0,0,0,1,1|2,0,0]=4 1435 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1cccs1 WXVL_AK0128SA0001 [0,0,0,0,1,1|2,0,0]=4 1436 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1ccoc1 WXVL_AK0128SA0047 [0,0,0,0,1,1|2,0,0]=4 1437 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1ccoc1 WXVL_AK0128SA0047 [0,0,0,0,1,1|2,0,0]=4 1438 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1ccsc1 WXVL_AK0128SA0251 [0,0,0,0,1,1|2,0,0]=4 1439 B16R1.1291 CC(C)OCCNC(=O)/C=C/c1ccsc1 WXVL_AK0128SA0251 [0,0,0,0,1,1|2,0,0]=4 1440 B18R1.10618 CN(C)CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0097SB0115 [0,0,0,0,0,2|2,0,0]=4 1441 B18R1.10618 CN(C)CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0097SB0115 [0,0,0,0,0,2|2,0,0]=4 1442 B18R1.21046 CC(C)CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1301 [0,0,0,0,0,2|1,0,0]=3 1443 B18R1.21046 CC(C)CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1301 [0,0,0,0,0,2|1,0,0]=3 1444 B18R1.21046 CN(C)CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB00055 [0,0,0,0,0,2|2,0,0]=4 1445 B18R1.21046 CN(C)CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB00055 [0,0,0,0,0,2|2,0,0]=4